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, 3-epoxy-3-phenylbutyrate 000077-83-8 O=C(OCC)C(O1)C1(c(cccc2)c2)
, OCC(O1)C1)C(CC)(C)CC(C), pp.5-026761
, COC(=O)c2ccc(C(=O)OCC3O C3)cc2), pp.335-337
, O1)C1)c(ccc(c2C(=O)OC C(O3)C3)C(=O)OCC(O4)C4), pp.336-338
, 337 2,3-epoxypropyl methacrylate 000106-91-2 O=C(OCC(O1)C1)C(=C)
, 339 1,4-butanediol, reaction product with 1- chloro-2,3-epoxypropane
, 340 reaction products of hexane-1,6-diol with 2-(chloromethyl)oxirane (1:2) -1,6- bis(2,3-epoxypropoxy)hexane -UVCB
, 341 3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran- 2-ylmethyl)aniline, pp.71604-74
, O2)C2)cc3)c3) CC(O4)C4
, 342 4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran- 2-ylmethyl)aniline, pp.5026-74
, O2)C2)c3)c3) CC(O4)C4
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, 24 KREATiS internal experimental database and QSARs. 25 KREATiS internal experimental database and QSARs. 26 KREATiS internal experimental database and QSARs. 27 KREATiS internal experimental database and QSARs. 28 KREATiS internal experimental database and QSARs. 29 oxidation into aldehyde and adducts Belsito, D. et al. A safety assessment of non-cyclic alcohols with unsaturated branched chain when used as fragrance ingredients: The RIFM expert panel, 23 KREATiS internal experimental database and QSARs, pp.1-42, 2010.
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, Joint toxicity of alkoxyethanol mixtures: Contribution of in silico applications, 44 oxidation into correponding acid, pp.134-142, 2012.
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, 59 metabolised into glycoaldehyde, glycolate, glyoxylate and oxalateTheses metabolites are OPU, inhibit glucose and serotonin metabolism, protein synthesis, DNA replication, ribosomal RNA formation These effecs may all be due to acidosis generated, and oxalate crystallising with calcium, leading to deposits blocking circulation etc. and eventually hypocalcemia
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, 68 metabolised into more toxic compound such as oxalic acid, ethylene dioxyacetic acid, and possibly ethylene glycol (leading to glycoaldehyde, glycolate, glyoxylate and oxalateTheses metabolites are OPU, inhibit glucose and serotonin metabolism, protein synthesis, DNA replication, ribosomal RNA formation These effecs may all be due to acidosis generated, and oxalate crystallising with calcium, leading to deposits blocking circulation etc. and eventually hypocalcemia))
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, 71 metabolised into more toxic compound such as oxalic acid, ethylene dioxyacetic acid, and possibly ethylene glycol (leading to glycoaldehyde, glycolate, glyoxylate and oxalateTheses metabolites are OPU, inhibit glucose and serotonin metabolism, protein synthesis, DNA replication, ribosomal RNA formation These effecs may all be due to acidosis generated, and oxalate crystallising with calcium, leading to deposits blocking circulation etc. and eventually hypocalcemia))
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, 76 KREATiS internal experimental database and QSARs. 77 KREATiS internal experimental database and QSARs. 78 KREATiS internal experimental database and QSARs. 79 KREATiS internal experimental database and QSARs. 80 not toxic at all for all aquatic species KREATiS internal experimental database and QSARs
, KREATiS internal experimental database and QSARs
, 82 KREATiS internal experimental database and QSARs
, KREATiS internal experimental database and QSARs
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, 88 KREATiS internal experimental database and QSARs. 89 KREATiS internal experimental database and QSARs. 90 KREATiS internal experimental database and QSARs. 91 KREATiS internal experimental database and QSARs. 92 KREATiS internal experimental database and QSARs
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, 102 KREATiS internal experimental database and QSARs. 103 ecotox apparent MoA1 KREATiS internal experimental database and QSARs. 104 ecotox apparent MoA1 KREATiS internal experimental database and QSARs. 105 KREATiS internal experimental database and QSARs
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, 169 KREATiS internal experimental database and QSARs. 170 KREATiS internal experimental database and QSARs. 171 KREATiS internal experimental database and QSARs. 172 KREATiS internal experimental database and QSARs. 173 KREATiS internal experimental database and QSARs. 174 KREATiS internal experimental database and QSARs. 175 KREATiS internal experimental database and QSARs. 176 KREATiS internal experimental database and QSARs. 177 KREATiS internal experimental database and QSARs. 178 KREATiS internal experimental database and QSARs. 179 KREATiS internal experimental database and QSARs. 180 KREATiS internal experimental database and QSARs. 181 KREATiS internal experimental database and QSARs. 182 KREATiS internal experimental database and QSARs. 183 KREATiS internal experimental database and QSARs, 167 KREATiS internal experimental database and QSARs. 168 KREATiS internal experimental database and QSARs 184 KREATiS internal experimental database and QSARs. 185 KREATiS internal experimental database and QSARs. 186 KREATiS internal experimental database and QSARs. 187 KREATiS internal experimental database and QSARs. 188 KREATiS internal experimental database and QSARs. 189 KREATiS internal experimental database and QSARs. 190 KREATiS internal experimental database and QSARs. 191 KREATiS internal experimental database and QSARs
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, 202 KREATiS internal experimental database and QSARs. 203 KREATiS internal experimental database and QSARs. 204 KREATiS internal experimental database and QSARs. 205 KREATiS internal experimental database and QSARs. 206 KREATiS internal experimental database and QSARs. 207 KREATiS internal experimental database and QSARs. 208 KREATiS internal experimental database and QSARs. 209 KREATiS internal experimental database and QSARs. 210 KREATiS internal experimental database and QSARs. 211 KREATiS internal experimental database and QSARs. 212 KREATiS internal experimental database and QSARs
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, 222 KREATiS internal experimental database and QSARs. 223 KREATiS internal experimental database and QSARs. 224 KREATiS internal experimental database and QSARs. 225 KREATiS internal experimental database and QSARs. 226 KREATiS internal experimental database and QSARs
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, 229 KREATiS internal experimental database and QSARs. 230 KREATiS internal experimental database and QSARs
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, 249 hydrolysed abiotically, generating acetoacetic acid, a compound normally appearing in mammals during fatty acids metabolism. However, it competes with lactic acid in the monocarboxylate transporters, which can pose a problem in high acute doses
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, 251 KREATiS internal experimental database and QSARs. 252 KREATiS internal experimental database and QSARs. 253 KREATiS internal experimental database and QSARs. 254 F: normal ester toxicity KREATiS internal experimental database and QSARs
, 255 hydrolysis gives an hemiacetal, in equilibirum with aldehyde in water. ecotox apparent MoA ester KREATiS internal experimental database and QSARs
, 256 KREATiS internal experimental database and QSARs. 257 10 times more toxic to fish and daphnia than ester toxicity, 2 times for algae KREATiS internal experimental database and QSARs
, Ecotox: all not toxic above solubility limit KREATiS internal experimental database and QSARs
, 259 10 times more toxic to fish and daphnia than ester toxicity, 2 times for algae KREATiS internal experimental database and QSARs
, 260 Ecotox: normal ester toxicity KREATiS internal experimental database and QSARs
, Acute: 2 times more toxic to fish, 4 times to daphnia, 10 times to algae Probably only because of experimental issues? M: hallucinatory, causes forced sleep. It is a mineralocorticoid receptor antagonist (VS aldosterone = normal substrate) and glucocorticoid recpetor antagonist, and it also inhibit the biosynthesis of aldosterone. KREATiS internal experimental database and QSARs. 262 10 times more toxic to fish
, 263 KREATiS internal experimental database and QSARs
, 264 ecotox: normal ester toxicity KREATiS internal experimental database and QSARs. 265 KREATiS internal experimental database and QSARs
, 267 ecotox: normal ester toxicity KREATiS internal experimental database and QSARs
, 268 KREATiS internal experimental database and QSARs. 269 ecotox: normal ester toxicity KREATiS internal experimental database and QSARs. 270 Fish: normal ester toxicity KREATiS internal experimental database and QSARs
, 271 ecotox: normal ester toxicity KREATiS internal experimental database and QSARs
, 272 2 times more toxic to fish and daphnia than normal ester, not toxic at EC50(pred)*2 for algae KREATiS internal experimental database and QSARs
, 274 ecotox: normal ester toxicity KREATiS internal experimental database and QSARs
, 275 diesters are more toxic than esters, probably because 2 esters are hydrolysed, generating twice as much acidity as for monoesters KREATiS internal experimental database and QSARs
, 276 diesters are more toxic than esters, probably because 2 esters are hydrolysed, generating twice as much acidity as for monoesters KREATiS internal experimental database and QSARs. 277 fish: less toxic than ester narcosis? KREATiS internal experimental database and QSARs, ecotox: less toxic than ester narcosis? KREATiS internal experimental database and QSARs
, 299 KREATiS internal experimental database and QSARs
, 300 ecotox: normal diester toxicity KREATiS internal experimental database and QSARs. 301 M: digestive hydolysis of one ester =>chronic=> induction of PPARalpha (peroxisome proliferator-activated receptor, precursor of liver cancer development) and endocrine disruption (if R>C4, can undergo further oxidative metabolism
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, 303 ecotox: EC50 > solubility limit KREATiS internal experimental database and QSARs. 304 M: digestive hydolysis of one ester =>chronic=> induction of PPARalpha (peroxisome proliferator-activated receptor, precursor of liver cancer development) and endocrine disruption (if R>C4, can undergo further oxidative metabolism
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, 307 ecotox: EC50 > solubility limit KREATiS internal experimental database and QSARs. 308 M: digestive hydolysis of one ester =>chronic=> induction of PPARalpha (peroxisome proliferator-activated receptor, precursor of liver cancer development) and endocrine disruption (if R>C4, can undergo further oxidative metabolism
, A summary of the acute toxicity of 14 phthalate esters to representative aquatic organisms, Environmental Toxicology and Chemistry, vol.25, issue.9, pp.1569-74, 1995.
DOI : 10.1002/etc.5620140916
, Fish: 1,5 to 4 times more toxic than normal diester toxicity KREATiS internal experimental database and QSARs
, 310 KREATiS internal experimental database and QSARs. 311 KREATiS internal experimental database and QSARs. 312 KREATiS internal experimental database and QSARs. 313 KREATiS internal experimental database and QSARs
, 314 KREATiS internal experimental database and QSARs
, 315 Fish: baseline toxicity KREATiS internal experimental database and QSARs. 316 KREATiS internal experimental database and QSARs. 317 KREATiS internal experimental database and QSARs. 318 KREATiS internal experimental database and QSARs. 319 KREATiS internal experimental database and QSARs. 320 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 321 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 322 similar to thyroid hormones, it disturbs their balance in the organism (thyroid hormones influences a lot of processes), binds to AhR, mimics ER, binding to its receptors with strong affinity, it is carcinogen also? Siddiqi, Tableau S2 : Set de validation. Partie 2. (suite)PBDEs): New Pollutants- Old Diseases, pp.281-290, 2003.
, 323 ecotox: reactive
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs. 328 ecotox: reactive, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs. 329 ecotox: reactive, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs. 333 reactive toxicity for fish, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs. 334 ecotox: between reactive and ester toxicity for all species, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs. 337 ecotox: very toxic, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, Journal of Medicinal Chemistry, vol.48, issue.1, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Application of a computational model for Michael addition reactivity in the prediction of toxicity to Tetrahymena pyriformis, KREATiS internal experimental database and QSARs. 338 slow chemical hydrolysis in water, faster with acids. Attacks almost everything! Alkylating, 2011.
DOI : 10.1016/j.chemosphere.2011.07.037
, 1-Chloro-2,3-époxypropane -Fiche toxicologique n° 187, KREATiS internal experimental database and QSARs. 339 ecotox: reactive, 2016.
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, Derivation and Validation of Toxicophores for Mutagenicity Prediction, 346 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 347 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 348 KREATiS internal experimental database and QSARs, pp.312-320, 2005.
DOI : 10.1021/jm040835a
, 350 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 351 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 352 M: conjugation with GSH, then further reduction (thus oxidative stress) to generate methanethiol, which produces CNS injury. Fish: baseline toxicity ATSDR. Toxicological Profile: Chloromethane https KREATiS internal experimental database and QSARs. 353 KREATiS internal experimental database and QSARs. 354 KREATiS internal experimental database and QSARs. 355 KREATiS internal experimental database and QSARs. 356 KREATiS internal experimental database and QSARs. 357 M: Alkylation through SN2 with thiol and amino residues. Protection with free cysteine and GSH. The conjugation with GSH and further metabolism may be the main cause for chronic toxicity as for methyl chloride, 349 ecotox: baseline toxicity KREATiS internal experimental database and QSARs Ecotox: 100x more toxic than baseline, 2016.
, KREATiS internal experimental database and QSARs. 358 KREATiS internal experimental database and QSARs. 359 KREATiS internal experimental database and QSARs. 360 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 361 Algae: baseline toxicity KREATiS internal experimental database and QSARs. 362 KREATiS internal experimental database and QSARs. 363 KREATiS internal experimental database and QSARs, pp.65-85, 1995.
, highly reative (generates HCl in the medium and binds to proteins to make adducts) Ecotox: baseline toxicity ATSDR Toxicological Profile: Chloroform https://www.atsdr.cdc.gov/toxprofiles/tp.asp?id=53&tid=16 KREATiS internal experimental database and QSARs. 365 KREATiS internal experimental database and QSARs. 366 KREATiS internal experimental database and QSARs. 367 KREATiS internal experimental database and QSARs, CYP450 into phosgene 368 Fish: baseline toxicity KREATiS internal experimental database and QSARs. 369 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 370 KREATiS internal experimental database and QSARs. 371 Fish: 20x more toxic than baseline KREATiS internal experimental database and QSARs, 2016.
, Ecotox: between 1,5 and 2 times more toxic than baseline. M: metabolised into trichloroethanol, trichloroethylene, no surprising or high toxic effects
, Patty's Toxicology Volumes 1-9
, KREATiS internal experimental database and QSARs. 373 KREATiS internal experimental database and QSARs. 374 KREATiS internal experimental database and QSARs. 375 KREATiS internal experimental database and QSARs. 376 KREATiS internal experimental database and QSARs. 377 KREATiS internal experimental database and QSARs, 378 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 379 KREATiS internal experimental database and QSARs. 380 KREATiS internal experimental database and QSARs. 381 KREATiS internal experimental database and QSARs, p.144, 2001.
, 382 M: activates and desensitizes TRP channels, thus having an analgesic effect
, Camphor Activates and Strongly Desensitizes the Transient Receptor Potential Vanilloid Subtype 1 Channel in a Vanilloid-Independent Mechanism, Journal of Neuroscience, vol.25, issue.39
DOI : 10.1523/JNEUROSCI.2574-05.2005
, DOI: 10.1523/JNEUROSCI.2574- 05.2005. KREATiS internal experimental database and QSARs. 383 KREATiS internal experimental database and QSARs. 384 ecotox: baseline toxicity KREATiS internal experimental database and QSARs, pp.8924-8937, 2005.
, Ecotox: 7x more toxic to fish, baseline for daphnia, 2x more toxic for algae. M: calcium channel blocker in intestine (inhibits contraction)
, (???)-Carvone: Antispasmodic effect and mode of action, KREATiS internal experimental database and QSARs, pp.20-24
DOI : 10.1016/j.fitote.2012.10.012
, Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase, Fish: 8x more toxic than baseline, pp.275-279
DOI : 10.1016/j.jbiosc.2014.08.014
, Ecotox: between aldehyde and baseline toxicity KREATiS internal experimental database and QSARs. 388 ecotox: baseline toxicity KREATiS internal experimental database and QSARs. 389 ecotox: baseline toxicity KREATiS internal experimental database and QSARs, 387 endogenous compound involved in different endogenous pathways
, 391 Fish and Daphnid: baseline. Algae: 9x more toxic. KREATiS internal experimental database and QSARs
, 392 KREATiS internal experimental database and QSARs
, 393 Ecotox: polar narcosis toxicity KREATiS internal experimental database and QSARs
, Ecotox: less toxic than baseline? KREATiS internal experimental database and QSARs
, 395 spontaneously decomposes giving CN-and acetaldehyde. Very high toxicity to aquatic life and mammals
, Modeling cyanide release from nitriles: prediction of cytochrome P 450-mediated acute nitrile toxicity, Chemical Research in Toxicology, vol.5, issue.4, pp.548-552, 1992.
DOI : 10.1021/tx00028a014
, 396 Specific study on this compound showed metabolism by CYP2E1 generating CN-, correlated with toxicity. In addition, epoxide is formed by CYP2A5. Fish: ca
, C.; Chabbert, C.; Bayona, J. M
, Allylnitrile Metabolism by CYP2E1 and Other CYPs Leads to Distinct Lethal and Vestibulotoxic Effects in the Mouse DOI: 10.1093/toxsci/kfn233. KREATiS internal experimental database and QSARs. 397 no H/M data. Ecotox seems much less toxic than baseline, KREATiS internal experimental database and QSARs, pp.461-472, 2009.
, 398 ecotox: baseline toxicity. M: probably genotoxic. Reduction into nitroso cause DNA and protein damage. Induces oxidative stress, generating methemoglobinemia
, General Discussion of Common Mechanisms for Aromatic Amines, KREATiS internal experimental database and QSARs, pp.41-54, 2010.
, 399 ecotox: baseline toxicity. M: probably genotoxic. Reduction into nitroso cause DNA and protein damage. Induces oxidative stress, generating methemoglobinemia
, General Discussion of Common Mechanisms for Aromatic Amines, KREATiS internal experimental database and QSARs. 400 Ecotox: polar narcosis toxicity KREATiS internal experimental database and QSARs, pp.41-54, 2010.
, 401 Ecotox: polar narcosis toxicity KREATiS internal experimental database and QSARs. 402 KREATiS internal experimental database and QSARs. 403 KREATiS internal experimental database and QSARs. 404 KREATiS internal experimental database and QSARs. 405 KREATiS internal experimental database and QSARs. 406 KREATiS internal experimental database and QSARs
,
, Mechanism of Action of Thymol on Cell Membranes Investigated through Lipid Langmuir Monolayers at the Air???Water Interface and Molecular Simulation, DOI: 10.1021/acs.langmuir.6b00600. KREATiS internal experimental database and QSARs. 408 polar narcosis KREATiS internal experimental database and QSARs. 409 KREATiS internal experimental database and QSARs. 410 KREATiS internal experimental database and QSARs. 411 KREATiS internal experimental database and QSARs. 412 KREATiS internal experimental database and QSARs. 413 KREATiS internal experimental database and QSARs, pp.3234-3241
DOI : 10.1021/acs.langmuir.6b00600
, 414 KREATiS internal experimental database and QSARs. 415 KREATiS internal experimental database and QSARs. 416 antioxidant (radical trapping)
, Moldeus, P. Effects of Dietary and in Vitro, vol.2
, KREATiS internal experimental database and QSARs. 417 it is an estrogenic compound (3 to 6 orders of magnitude less potent than estradiol), but the corresponding effects can only be seen at high doses, Br. J. Cancer, vol.45, issue.6, pp.935-944, 1982.
, Toxicological Profile for Nonylphenol, KREATiS internal experimental database and QSARs, 2009.
, 418 antioxidant (radical trapping) Creates adducts after metabolisation into a quinone methide in the lung
, KREATiS internal experimental database and QSARs, pp.1631-1641, 2008.
DOI : 10.1021/tx800162p
, KREATiS internal experimental database and QSARs. 420 Ecotox: polar narcosis toxicity KREATiS internal experimental database and QSARs. 421 M: minor pathway is oxidation into phenylhydroquinone, and then redox cycle between phenylhydroquinone and phenylbenzoquinone, 2008.
DOI : 10.1021/tx800162p
, Monograph of Ortho-Pehylphenol and Its Sodium Salt KREATiS internal experimental database and QSARs. 422 M: minor pathway is oxidation into phenylcatechol, and then redox cycle between phenylcatechol and phenylbenzoquinone, IARC, vol.73, p.451, 1999.
, Monograph of Ortho-Pehylphenol and Its Sodium Salt, IARC, vol.73, 1999.
, 423 Binds to Estrogen-Related Receptor (ERR) Gamma (like Bisphenol A which has a hydroxy group in addition
, ERR?? tethers strongly bisphenol A and 4-??-cumylphenol in an induced-fit manner, KREATiS internal experimental database and QSARs. 424 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols, pp.408-413, 2008.
DOI : 10.1016/j.bbrc.2008.06.050
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 425 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 426 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 427 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 428 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 429 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 430 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti-inflammatory Drugs, KREATiS internal experimental database and QSARs, pp.2-8, 1998.
DOI : 10.1016/S0002-9343(97)00203-9
, 431 all esters of salicylic acid present the same effects than salicylic acid. Inhibition of COX-2 and -1. Ecotox: salicylates stand between esters and phenols (most are bad data
, Mechanism of Action of Nonsteroidal Anti- Inflammatory Drugs'. The American, 2S ? 8S. doi:10.1016/S0002-9343(97)00203-9. KREATiS internal experimental database and QSARs. 432 Ecotox: polar narcosis toxicity KREATiS internal experimental database and QSARs, 1998.
DOI : 10.1016/s0002-9343(97)00203-9
, 433 Visible effects in vivo seem not much different than another phenol Ecotox: polar narcosis toxicity Riley, P. A. Mechanism of Pigment-Cell Toxicity Produced by Hydroxyanisole DOI: 10.1002/path.1711010211. KREATiS internal experimental database and QSARs. 434 M: Dealkoxylation, then RedOx cycle between reduced and oxidized quinone. Ecotox: approx. 3x more toxic than polar narcosis, J. Pathol, vol.101, issue.2, pp.163-169, 1970.
, Mechanism of pigment-cell toxicity produced by hydroxyanisole, The Journal of Pathology, vol.209, issue.2, pp.163-169, 1970.
DOI : 10.1177/10.3.269
, 435 M: Dealkoxylation, then RedOx cycle between reduced and oxidized quinone. Ecotox: approx. 3x more toxic than polar narcosis
, Mechanism of pigment-cell toxicity produced by hydroxyanisole, DOI: 10.1002/path.1711010211. KREATiS internal experimental database and QSARs. 436 OPU (H+ transport), seen in ecotox KTS KREATiS internal experimental database and QSARs, pp.163-169, 1970.
DOI : 10.1177/10.3.269
, Ecotox: 5x more toxic to fish, 70x more toxic for daphnia, 10x more toxic to algae than polar narcosis. M: in high doses, it inhibits thyroid peroxidases thus disrupting the depending hormone system
, Routes and Modes of Administration of Resorcinol and Their Relationship to Potential Manifestations of Thyroid Gland Toxicity in Animals and Man, KREATiS internal experimental database and QSARs, pp.59-63, 2008.
DOI : 10.1111/j.1365-4362.1983.tb02149.x
, Ecotox: 100x more toxic to fish, 20x to daphnia, 3x to algae than polar narcosis
, Mechanism of pigment-cell toxicity produced by hydroxyanisole, The Journal of Pathology, vol.209, issue.2, pp.163-169, 1970.
DOI : 10.1177/10.3.269
, Ecotox: not more toxic to fish, 5x to daphnia and algae than polar narcosis. M: agonist of Estrogen Receptor
, Phenylphenols, biphenols, bisphenol-A and 4-tert-octylphenol exhibit ?? and ?? estrogen activities and antiandrogen activity in reporter cell lines, KREATiS internal experimental database and QSARs, pp.43-49, 2002.
DOI : 10.1016/S0303-7207(02)00094-1
, Ecotox: not more toxic to fish, 7x to daphnia and 10x to algae than polar narcosis
, Fish: polar narcosis toxicity Estrogen Receptor agonist, induce oxidative stress (metabolism to catechol moieties?) (and adducts to proteins). A lot of other effects
, Bisphenol A and human chronic diseases: Current evidences, possible mechanisms, and future perspectives, KREATiS internal experimental database and QSARs. 442 certainly good antioxidant properties. KREATiS internal experimental database and QSARs, pp.83-90, 2014.
DOI : 10.1016/j.envint.2013.12.007
, Algae: 2,4x more toxic than polar narcosis KREATiS internal experimental database and QSARs. 444 so hydrophobic that it is not bioavailable, not toxic at solubility limit in aquatic toxicity, not especially toxic in plants and soil organisms, KREATiS internal experimental database and QSARs
, Inihibits electron transport (lactate dehydrogenase / succinate dehydrogenase in complex II) in the membranes
, In vitro kinetics of the rat brain succinate dehydrogenase inhibition by hexachlorophene, 6<303::AID-JBT3>3.0.CO, pp.303-306, 1999.
DOI : 10.1016/0005-2744(71)90083-0
, in their anionic form, are oxidized into thiyl radical and then enter a redox cycle between the thiyl radical and the disulfides. 3° are not reactive enough due to steric hindrance Aromatics are more reactive (conjugation stabilization, EWG are stabilizing the anion, therefore decreasing the reactivity, while EDG will stabilize the thiyl radical and favor the oxidation
, Toxicity of Thiols and Disulphides: Involvement of Free-Radical Species. Free Radic
, Biol. Med, vol.7, issue.6, pp.659-673, 1989.
, 5x more toxic for daphnia KREATiS internal experimental database and QSARs. (H+ transport), seen in ecotox KTS KREATiS internal experimental database and QSARs. (H+ transport), seen in ecotox KTS KREATiS internal experimental database and QSARs. (H+ transport), seen in ecotox KTS KREATiS internal experimental database and QSARs. (H+ transport), seen in ecotox KTS KREATiS internal experimental database and QSARs
, GABA Receptor Physiology and Pharmacology. 1999. 458 muscarinic antagonist King, M. W. Biochemistry of Neurotransmitters and Nerve Transmission http, 2015.
, An Integrated " 4-Phase Approach for Setting Endocrine Disruption Screening Priorities?phase I and II Predictions of Estrogen Receptor Binding Affinity 460 strong agonist of estrogen receptor An Integrated " 4-Phase " Approach for Setting Endocrine Disruption Screening Priorities?phase I and II Predictions of Estrogen Receptor Binding Affinity, SAR QSAR Environ. Res. SAR QSAR Environ. Res, vol.13, issue.131, pp.69-88, 1080.
, Set de validation. Partie 2. (suite), p.461
, Biochemistry of Neurotransmitters and Nerve Transmission http, 2015.
, 462 agonist of morphine at µ-opioid receptor
, Basic opioid pharmacology: an update, British Journal of Pain, vol.4, issue.1, pp.11-16, 2012.
DOI : 10.1038/sj.npp.1300463
URL : http://europepmc.org/articles/pmc4590096?pdf=render
, Experimental and Clinical Pharmacology: Opioids - mechanisms of action, Australian Prescriber, vol.19, issue.3
DOI : 10.18773/austprescr.1996.063
, , pp.63-65, 1996.
, Basic opioid pharmacology: an update, British Journal of Pain, vol.4, issue.1, pp.11-16, 2012.
DOI : 10.1038/sj.npp.1300463
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, Experimental and Clinical Pharmacology: Opioids - mechanisms of action, Australian Prescriber, vol.19, issue.3
DOI : 10.18773/austprescr.1996.063
, seen in ecotox KTS KREATiS internal experimental database and QSARs, pp.63-65, 1996.
, Organophosphorus Pesticides -Mechanisms of Their Toxicity. In Pesticides - The Impacts of Pesticides Exposure, 2011.
, Plants: inhibits Protein D-1 at photosystem II => blocks production of O2 + ROS generated. Other: carcinogenic, reproductive and developmental toxicity
, Chapter 25 -Hazard Assessment for Selected Symmetrical and Asymmetrical Triazine Herbicides, The Triazine Herbicides, pp.387-398, 2008.
, Analysis of Potential Modes of Action ; APVMA, 2010; p 49. 467 AChE inhibitor Fukuto, T. R. Mechanism of Action of Organophosphorus and Carbamate Insecticides, Environ. Health Perspect, vol.87, pp.245-254, 1990.
, Mechanism of action of organophosphorus and carbamate insecticides, Environmental Health Perspectives, vol.87, pp.245-254, 1990.
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, 469 binds to benzodiazepine site of GABAa receptors, increasing the activity of GABA
, GABA Receptor Physiology and Pharmacology 470 nicotinic agonist Tzankova, V.; Danchev, N. Cytisine?from Ethomedical Use to the Development as a Natural Alternative for Smoking Cessation, seen in ecotox KTS KREATiS internal experimental database and QSARs. 472 binds to progesterone and estrogen receptors, pp.151-160, 1999.
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, Plants: hydrolysed. Then the acid is an antagonist of phytohormone auxin, overstimulating plant growth, more than it can afford (because too slowly metabolised then) M: after hydrolysis
, Insight into the mode of action of 2,4-dichlorophenoxyacetic acid (2,4-D) as an herbicide, Journal of Integrative Plant Biology, vol.60, issue.2, pp.106-113
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, 476 binds to picrotoxin site of GABAa receptors, blocking the channel. Very toxic for mammals and fish
, GABA Receptor Physiology and Pharmacology. 1999. 477 oxidized by metabolism to generate MPP+, RedOx cycler. It is inducing Parkinson decease, because MPP+ is generated in astrocytes in the brain, and then actively transported to dopaminergic neurons by dopamine transporters
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, 478 Conjugation with thiol groups (including CoA, inhibiting all the processes using it), not precisely known? Plants: makes it a good herbicide
, Understanding the Mode of Action of the Chloroacetamide and Thiocarbamate Herbicides, Weed Technology, vol.16, issue.04, pp.270-277
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, 479 Plants: inhibits Protein D-1 at photosystem II => blocks production of O2 + ROS generated. Other: slightly to not toxic
, Chapter 25 -Hazard Assessment for Selected Symmetrical and Asymmetrical Triazine Herbicides, The Triazine Herbicides, pp.387-398, 2008.
, Analysis of Potential Modes of Action ; APVMA, 2010; p 49. 480 prevents the closure of Na+ channel from the nerve, maintaining the signal / inhibits GABAergic Cl-channel into the nerve / inhibits Ca-ATPase or Ca-Mg-ATPase, disturbing Ca2+ regulation Coats, J R. 1990. 'Mechanisms of Toxic Action and Structure-Activity Relationships for Organochlorine and Synthetic Pyrethroid Insecticides, Environmental Health Perspectives, vol.87, pp.255-62
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, Plants: hydrolysed. Then, beta-oxidation to obtain the phenoxyacetic acid which is an antagonist of phytohormone auxin, overstimulating plant growth, more than it can afford (because too slowly metabolised then) M: after hydrolysis
, Chapter 13 Weed Control In Plant Growth Substances: Principles and Applications 483 prevents the closure of Na+ channel from the nerve, maintaining the signal / inhibits GABAergic Cl-channel into the nerve / inhibits Ca-ATPase or Ca-Mg-ATPase, disturbing Ca2+ regulation Coats, J R. 1990. 'Mechanisms of Toxic Action and Structure-Activity Relationships for Organochlorine and Synthetic Pyrethroid Insecticides, Science & Business Media Environmental Health Perspectives, vol.282, issue.87, pp.255-62, 1996.
, 484 inhibit acetolactate synthase, an enzyme involved in the biosynthesis of valine, leucine and isoleucine in plants
, In Weed Control Methods Handbook: tools & techniques for use in natural areas ; The Nature Conservancy, 2001. 485 selective estrogen receptor modulator, Agonist in bone and in lipi metabolism, antagonist in uterine endometrium and breast
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