REPOSITORY QDB GUIDELINES CITING BLOG

10967/213 - QDB Compounds

QsarDB Repository

Saliner, A. G.; Netzeva, T. I.; Worth, A. P. Prediction of estrogenicity: validation of a classification model. SAR QSAR Environ. Res. 2006, 17, 195–223.

460 compounds | Property ER_activity: Estrogenic activity

ID Name ER_activity Details
t_1 17β-Estradiol Active View
t_2 4,4'-Diethylethylene bisphenol i Active View
t_3 4,4'-Cyclohexylidenebisphenol Active View
t_4 4,4'-Thiodiphenol Active View
t_5 bis(4-Hydroxyphenyl)methane Active View
t_6 4,4'-Ethylidenebisphenol Active View
t_7 Bisphenol A Active View
t_8 4,4'-(1,3-Adamantanediyl)bisphenol Active View
t_9 4,4'-Dihydroxybenzophenone Active View
t_10 Bis(4-Hydroxyphenyl)sulphone Active View
t_11 1,1,1-tris(4-Hydroxyphenyl)ethane Active View
t_12 4,4'-Dimethoxybiphenyl Inactive View
t_13 4,4'-Dipyridyl Inactive View
t_14 2,4-Dihydroxybenzophenone Active View
t_15 2,2',4,4'-Tetrahydroxyl benzophenone Active View
t_16 4-Chloro-4'-hydroxy benzophenone Active View
t_17 3-Hydroxybenzophenone Active View
t_18 4-Hydroxybenzophenone Active View
t_19 2,3,4-Trihydroxybenzophenone Active View
t_20 2,4,4'-Trihydroxybenzophenone Active View
t_21 2,2'-Dihydroxybenzophenone Inactive View
t_22 4,4'-Dichlorobenzophenone Inactive View
t_23 2-Hydroxybenzophenone Inactive View
t_24 4-Methoxybenzophenone Inactive View
t_25 4-Chlorobenzophenone Inactive View
t_26 4-Methylbenzophenone Inactive View
t_27 4-Nitrobenzophenone Inactive View
t_28 Benzophenone Inactive View
t_29 Genistein i Active View
t_30 Biochanin A i Active View
t_31 Naringenin i Active View
t_32 Morin i Active View
t_33 Daidzein i Active View
t_34 Phloretin i Active View
t_35 4'-Hydroxychalcone Active View
t_36 Galangin i Inactive View
t_37 Baicalein i Inactive View
t_38 Chrysin i Inactive View
t_39 Flavone Inactive View
t_40 Flavanone Inactive View
t_41 trans-Chalcone Inactive View
t_42 2',4',6'-Trichloro-4-biphenylol Active View
t_43 2',3',4',5'-Tetrachloro-4-biphenylol Active View
t_44 2',5'-Dichloro-4-biphenylol Active View
t_45 4'-Chloro-4-biphenylol Active View
t_46 2',3',4',5'-Tetrachloro-3-biphenylol Active View
t_47 2,2',5'-Trichloro-4-biphenylol Active View
t_48 2',5'-Dichloro-3-biphenylol Active View
t_49 4,4'-Biphenyldiol Active View
t_50 4-(1-Hydroxyethyl)biphenyl Active View
t_51 3-Hydroxybiphenyl Active View
t_52 4-Hydroxybiphenyl Active View
t_53 4-(2-Hydroxypropyl)biphenyl i Active View
t_54 4-Biphenylmethanol Active View
t_55 3-Chloro-4-biphenylol Active View
t_56 2-Chloro-4-biphenylol Active View
t_57 2-Hydroxybiphenyl Active View
t_58 4-Methoxybiphenyl Active View
t_59 2',5'-Dichloro-2-biphenylol Active View
t_60 3,4',5-Trichloro-4-biphenylol Inactive View
t_61 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol Inactive View
t_62 Biphenyl Inactive View
t_63 4-(1-Adamantyl)phenol Active View
t_64 4-(4-Bromophenyl)phenol Active View
t_65 Ethyl 4'-hydroxy-4-biphenyl carboxylate Active View
t_66 Benzyl-4-hydroxybenzoate Active View
t_67 Isoamyl-4-hydroxybenzoate Active View
t_68 2-Ethylhexyl 4-hydroxybenzoate Active View
t_69 4-Cyclohexylphenol Active View
t_70 Nonyl-4-hydroxybenzoate Active View
t_71 4-(tert-Octyl)phenol Active View
t_72 Phenyl-4-hydroxybenzoate Active View
t_73 4-Phenoxyphenol Active View
t_74 N-(4-Hydroxyphenyl)-2-naphthylamine Active View
t_75 4-(Benzyloxy)phenol Active View
t_76 4'-Hydroxyoctanophenone Active View
t_77 Benzyl 4-hydroxyphenyl ketone Active View
t_78 4-Hexanoylresorcinol Active View
t_79 4-Heptyloxyphenol Active View
t_80 4-Octylphenol Active View
t_81 Resorcinol monobenzoate Active View
t_82 Butyl-4-hydroxybenzoate Active View
t_83 4-Hydroxydiphenylmethane Active View
t_84 2-Hydroxydiphenylmethane Active View
t_85 4-Cyclopentyl phenol Active View
t_86 4-Hexyloxyphenol Active View
t_87 3-Hydroxydiphenylamine Active View
t_88 4-(tert-Pentyl)phenol Active View
t_89 4-n-Pentylphenol Active View
t_90 4-Pentyloxyphenol Active View
t_91 4-Butoxyphenol Active View
t_92 N-benzyl-4-hydroxyaniline Active View
t_93 Ethyl-4-hydroxybenzoate Active View
t_94 4-Hydroxypropiophenone Active View
t_95 2-(4-Hydroxyphenyl)-5-pyrimidinol Active View
t_96 4-Propoxyphenol Active View
t_97 4-Propylphenol Active View
t_98 2-(Benzyloxy)phenol Active View
t_99 4-(Imidazol-1-yl)phenol Active View
t_100 4-(4-Hydroxyphenyl)-2-butanone Active View
t_101 4-Methylphenol Inactive View
t_102 Phenol Inactive View
t_103 5-Pentylresorcinol Inactive View
t_104 Homovanillyl alcohol Inactive View
t_105 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol Inactive View
t_106 2-Phenylhydroquinone Inactive View
t_107 1-Benzyl-4-hydroxypiperidine Inactive View
t_108 4-Phenylpyridine Inactive View
t_109 2-(4-Hydroxyphenyl)ethanol Inactive View
t_110 2-(2-Hydroxyethyl)resorcinol i Inactive View
t_111 1-Benzyl-3-pyrrolidinol Inactive View
t_112 Toluene Inactive View
t_113 Chlorobenzene Inactive View
t_114 Benzyl benzoate Inactive View
t_115 Isoamyl benzoate Inactive View
t_116 Methyl benzoate Inactive View
t_117 Benzene Inactive View
v_1 Dibutyl adipate Inactive View
v_2 Bis(2-Butoxyethyl) phthalate Inactive View
v_3 Dimethyl phthalate Inactive View
v_4 Di-n-pentyl phthalate Inactive View
v_5 Di-iso-butyl adipate Inactive View
v_6 Diethyl adipate Inactive View
v_7 Di-iso-propyl adipate Inactive View
v_8 Dicyclohexyl phthalate Inactive View
v_9 Diethyl phthalate Inactive View
v_10 Di-iso-butyl phthalate Inactive View
v_11 Di-n-Butyl phthalate Inactive View
v_12 Dibutyl phthalate Inactive View
v_13 Di-n-hexyl phthalate Inactive View
v_14 4-Chloronitrobenzene Inactive View
v_15 Terephthalic acid Inactive View
v_16 Ethyl benzene Inactive View
v_17 Styrene Inactive View
v_18 Benzylalcohol Inactive View
v_19 Benzaldehyde Inactive View
v_20 N-methylaniline Inactive View
v_21 Phenylhydrazine Inactive View
v_22 Diphenylmethane Inactive View
v_23 trans-Stilbene Inactive View
v_24 Dibenzyl ether Inactive View
v_25 N-Ethylaniline Inactive View
v_26 n-Butyl benzene Inactive View
v_27 1,4-Diethylbenzene Inactive View
v_28 4-Chlorotoluene Inactive View
v_29 4-Chloroaniline Inactive View
v_30 1,3-Diphenylpropane Inactive View
v_31 1,3,5-Trimethylbenzene Inactive View
v_32 2-Methylpyridine Inactive View
v_33 o-Tolidine Inactive View
v_34 1,2,4-Trichlorobenzene Inactive View
v_35 N,N-Dimethylaniline Inactive View
v_36 Diphenylamine Inactive View
v_37 1,2-Diethylbenzene Inactive View
v_38 N-Phenyl-2-naphthylamine Inactive View
v_39 2-Mercaptobenzothiazole Inactive View
v_40 Neopentyl glycol dimethacrylate Inactive View
v_41 trans-1,2-Diphenylcyclobutane Inactive View
v_42 Diethylbenzene Inactive View
v_43 1,2,3-Trimethylbenzene Inactive View
v_44 1,2-Dinitrobenzene Inactive View
v_45 2,4-Dichloroaniline Inactive View
v_46 Menadione Inactive View
v_47 2-Ethyltoluene Inactive View
v_48 3-Ethyltoluene Inactive View
v_49 Aniline Inactive View
v_50 cis-Stilbene Inactive View
v_51 4-Toluenesulfonamide Inactive View
v_52 N-Nitrosodiphenylamine Inactive View
v_53 1,2,3-Trichlorobenzene Inactive View
v_54 1-Chloro-2-nitrobenzene Inactive View
v_55 N-Phenyl-1-naphthylamine Inactive View
v_56 Quinoline Inactive View
v_57 4-Amino butylbenzoate Inactive View
v_58 1,2-Dichlorobenzene Inactive View
v_59 2-Aminotoluene Inactive View
v_60 1,2,4-Trimethylbenzene Inactive View
v_61 2,4-Diaminotoluene Inactive View
v_62 2,5-Dichloroaniline Inactive View
v_63 1,2,4,5-Tetramethylbenzene Inactive View
v_64 1,2-Epoxyethylbenzene Inactive View
v_65 1-Chloro-2,4-dinitrobenzene Inactive View
v_66 2,4-Dinitroaniline Inactive View
v_67 4-tert-Butylbenzoic acid Inactive View
v_68 Cumene Inactive View
v_69 α-Methylstyrene Inactive View
v_70 Nitrobenzene Inactive View
v_71 4-Nitrotoluene Inactive View
v_72 2,4-Diphenyl-1-butene Inactive View
v_73 1,3,5-Triethyltoluene i Inactive View
v_74 4-iso-Propyl-3-methylphenol Inactive View
v_75 4-n-Nonylphenol Inactive View
v_76 2,4-Dimethylphenol Inactive View
v_77 Resorcinol Inactive View
v_78 2,4,6-Tribromophenol Inactive View
v_79 Catechol Inactive View
v_80 4-Hydroxybenzaldehyde Inactive View
v_81 Hydroquinone Inactive View
v_82 Bisphenol A diglycidyl ether Inactive View
v_83 4-n-Heptylphenol Inactive View
v_84 Bisphenol A ethoxylate Inactive View
v_85 2,2'-Dihydroxybiphenyl i Inactive View
v_86 2,4-Dinitrophenol Inactive View
v_87 3-Nitrophenol Inactive View
v_88 2,5-Dichlorophenol Inactive View
v_89 3-tert-Butylphenol Inactive View
v_90 3-Aminophenol Inactive View
v_91 2,4-Dibromophenol Inactive View
v_92 2,4,6-Trichlorophenol Inactive View
v_93 2-tert-Butylphenol Inactive View
v_94 2-Nitrophenol Inactive View
v_95 2-sec-Butylphenol Inactive View
v_96 2-Methylphenol Inactive View
v_97 2,2-Bis(4-(2-hydroxy-3-methacryloxypropoxy)phenyl)propane Inactive View
v_98 4-tert-Octylphenol polyethoxylate (5) i Inactive View
v_99 4-Nonylphenol polyethoxylate (5) i Inactive View
v_100 Antimony(III) chloride Inactive View
v_101 Triphenyltin chloride Inactive View
v_102 Tributyltin (IV) chloride i Inactive View
v_103 Dicyclohexylamine Inactive View
v_104 Diphenyl carbonate Inactive View
v_105 1,2-Dibromoethane Inactive View
v_106 Cyclohexylamine Inactive View
v_107 Cyclohexanol Inactive View
v_108 Cyclohexanone Inactive View
v_109 Triethylene glycol dimethacrylate Inactive View
v_110 Bis(2-chloroethyl) ether Inactive View
v_111 n-Decyl alcohol Inactive View
v_112 1-Tridecanol Inactive View
v_113 Tris(2-chloroethyl) phosphate Inactive View
v_114 Triethylamine Inactive View
v_115 Chlorodibromomethane Inactive View
v_116 Tributyl phosphate Inactive View
v_117 Tetrachloroethylene Inactive View
v_118 n-Butyl acrylate Inactive View
v_119 1-Nonanol Inactive View
v_120 Sodium lauryl sulfate Inactive View
v_121 Trimethylolpropane triacrylate Inactive View
v_122 Diethoxyleneglycol dimethacrylate Inactive View
v_123 2-Chloro-1,1,2-trifluoroethyl ethyl ether Inactive View
v_124 Trimethylolpropane trimethacrylate Inactive View
v_125 Camphorquinone Inactive View
v_126 1,3-Dichloropropene Inactive View
v_127 1,1,1,2-Tetrachloroethane Inactive View
v_128 Diethyl sulfate Inactive View
v_129 1-Butanol Inactive View
v_130 Didecyldimethylammonium chloride Inactive View
v_131 Urethane dimethacrylate i Inactive View
v_132 Bromoform Inactive View
v_133 Bromodichloromethane Inactive View
v_134 Dicyclopentadiene Inactive View
v_135 Tris(butoxyethyl) phosphate Inactive View
v_136 Isophorone Inactive View
v_137 2-Methyl-1-propanol Inactive View
v_138 Methyl methacrylate Inactive View
v_139 Hexachloro-1,3-butadiene Inactive View
v_140 Nonoxynol iodide i Inactive View
v_141 Coumaric acid i Inactive View
v_142 1,2,3-Trichloropropane Inactive View
v_143 1,3-Dichloro-2-propanol Inactive View
v_144 Monoethoxyleneglycol dimethacrylate Inactive View
v_145 Butylated hydroxytoluene Inactive View
v_146 Butylated hydroxyanisole i Inactive View
v_147 Dexamethasone Inactive View
v_148 Hydroxyflutamide Inactive View
v_149 Benzoic acid Inactive View
v_150 4-Hydroxybenzoic acid Inactive View
v_151 Dodecylol polyethoxylate (3) i Inactive View
v_152 Dodecylol polyethoxylate (5) i Inactive View
v_153 PhIP Inactive View
v_154 Ferulic acid Inactive View
v_155 4-Aminobenzoic acid Inactive View
v_156 Glycitein Inactive View
v_157 Glycitein Inactive View
v_158 Hinokitiol Inactive View
v_159 Carvacrol Inactive View
v_160 Tyramine Inactive View
v_161 Testosterone Inactive View
v_162 Tyrosine Inactive View
v_163 Trp-P-2 Inactive View
v_164 MelQx Inactive View
v_165 Thymol Inactive View
v_166 Acetyleugenol Inactive View
v_167 Eugenol Inactive View
v_168 Isoeugenol Inactive View
v_169 2-Aminoanthraquinone Inactive View
v_170 Anthracene Inactive View
v_171 Pyrene Inactive View
v_172 8-Hydroxy benzo[a]pyrene Inactive View
v_173 9-Hydroxyfluorene Inactive View
v_174 9-Hydroxy benzo[a]pyrene Inactive View
v_175 Benzo[e]pyrene Inactive View
v_176 Benzo[b]fluoranthene Inactive View
v_177 Benzo[k]fluoranthene Inactive View
v_178 5-Hydroxy benzo[a]pyrene Inactive View
v_179 4-Hydroxy-4'-monochlorobiphenyl Inactive View
v_180 6-Hydroxy benzo[a]pyrene Inactive View
v_181 4-Hydroxy benzo[a]pyrene Inactive View
v_182 7-Hydroxy benzo[a]pyrene Inactive View
v_183 1,6-Dinitropyrene Inactive View
v_184 1,8-dinitropyrene Inactive View
v_185 Benzo[a]pyrene Inactive View
v_186 1-Hydroxy pyrene Inactive View
v_187 1-Nitropyrene Inactive View
v_188 Benz[a]anthracene Inactive View
v_189 10-Hydroxy benzo[a]pyrene Inactive View
v_190 11-Hydroxy benzo[a]pyrene Inactive View
v_191 12-Hydroxy benzo[a]pyrene Inactive View
v_192 1,8-Dimethylnaphthalene Inactive View
v_193 1,2-Dimethylnaphthalene Inactive View
v_194 2,6-Dimethylnaphthalene Inactive View
v_195 2-Nitrofluorene Inactive View
v_196 2-Aminoanthracene Inactive View
v_197 2-Hydroxydibenzofuran Inactive View
v_198 3-Nitrofluoranthene Inactive View
v_199 1-Methylnaphthalene Inactive View
v_200 Naphthalene Inactive View
v_201 4-Hydroxy-2',3,5,5'-tetrachlorobiphenyl Inactive View
v_202 7-Hydroxy-1,2,3,6,8-pentachlorodibenzofuran Inactive View
v_203 3-Hydroxy-2,8-dichlorodibenzofuran Inactive View
v_204 9-Hydroxy-2,6-dichlorodibenzofuran Inactive View
v_205 6-Hydroxy-3,4-dichlorodibenzofuran Inactive View
v_206 9-Hydroxy-3,4-dichlorodibenzofuran Inactive View
v_207 Xylylcarb Inactive View
v_208 Chinomethionate Inactive View
v_209 Fenthoate Inactive View
v_210 Mancozeb Inactive View
v_211 Chloropropham Inactive View
v_212 Simetryne Inactive View
v_213 Heptachlor epoxide Inactive View
v_214 Chlorobenside Inactive View
v_215 Carbendazim Inactive View
v_216 1,4-Dichlorobenzene Inactive View
v_217 Propoxur Inactive View
v_218 benzoepin Inactive View
v_219 Fensulfothion Inactive View
v_220 Malathion Inactive View
v_221 Fenitrothion Inactive View
v_222 Simazine Inactive View
v_223 Maneb Inactive View
v_224 Kitazin Inactive View
v_225 Captan Inactive View
v_226 Thiram Inactive View
v_227 Ziram Inactive View
v_228 Propazin Inactive View
v_229 Thiabendazole Inactive View
v_230 Carbofuran Inactive View
v_231 Trifluralin Inactive View
v_232 Alachlor Inactive View
v_233 Malaoxon Inactive View
v_234 Edifenphos Inactive View
v_235 Nitrofen Inactive View
v_236 Chlornitrofen Inactive View
v_237 Isoxathion Inactive View
v_238 Chlorothalonil Inactive View
v_239 Atrazine Inactive View
v_240 O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate Inactive View
v_241 Metribuzin Inactive View
v_242 Cyanazine Inactive View
v_243 Molinate Inactive View
v_244 Tetrachlorovinphos Inactive View
v_245 Phosalone Inactive View
v_246 Thiophanate-methyl Inactive View
v_247 Propyzamide Inactive View
v_248 Triforine Inactive View
v_249 Tetrachlorophthalide Inactive View
v_250 Thiobencarb Inactive View
v_251 Primiphos-methyl Inactive View
v_252 Aldrin Inactive View
v_253 α-Hexachlorocyclohexane Inactive View
v_254 Procymidone Inactive View
v_255 Linuron Inactive View
v_256 β-Benzoepin Inactive View
v_257 Diazinon Inactive View
v_258 Diflubenzuron Inactive View
v_259 Iprodione Inactive View
v_260 2-(1-methylpropyl)phenyl methylcarbamate Inactive View
v_261 Pendimethalin Inactive View
v_262 Metamitron Inactive View
v_263 Bifenox Inactive View
v_264 Triadimefon Inactive View
v_265 Vinclozolin Inactive View
v_266 Isoprothiolane Inactive View
v_267 Chlorobenzilate Inactive View
v_268 Pretilachlor Inactive View
v_269 Triadimenol Inactive View
v_270 Fenthion Inactive View
v_271 Neburon Inactive View
v_272 Chlorpyrifos-methyl Inactive View
v_273 Ethyl parathion Inactive View
v_274 Dieldrin Inactive View
v_275 γ-hexachlorocyclohexane i Inactive View
v_276 Dimepiperate Inactive View
v_277 Dichlorvos Inactive View
v_278 Carbaryl Inactive View
v_279 Cyhalothrin Inactive View
v_280 Fluazifop-butyl Inactive View
v_281 Propanil Inactive View
v_282 Endrin Inactive View
v_283 Methoxychlor Inactive View
v_284 Mefenacet Inactive View
v_285 Bromobutide Inactive View
v_286 Heptachlor Inactive View
v_287 Tefluthrin Inactive View
v_288 Toxaphene Inactive View
v_289 Pentachloronitrobenzene Inactive View
v_290 Esprocarb Inactive View
v_291 Pentachlorophenol Inactive View
v_292 Fenoprop Inactive View
v_293 2,4,5-Trichlorophenoxyacetic acid Inactive View
v_294 2,4-dichlorophenoxyacetic acid Inactive View
v_295 Methidathion Inactive View
v_296 2,4,5-Trichlorophenol Inactive View
v_297 α-Benzoepin Inactive View
v_298 1,2-Dibromo-3-chloropropane Inactive View
v_299 Dicloran Inactive View
v_300 Di-n-propyl phthalate Active View
v_301 Di-iso-propyl phthalate Active View
v_302 Benzyl butyl phthalate Active View
v_303 cis-1,2-Diphenylcyclobutane Active View
v_304 4-Bromophenol Active View
v_305 4-Chlorophenol Active View
v_306 2,4-Dichlorophenol Active View
v_307 4-Ethylphenol Active View
v_308 4-n-butylphenol Active View
v_309 4-n-Hexylphenol Active View
v_310 4-Chloro-3-methylphenol Active View
v_311 2,2-Bis(4-hydroxy-3-methylphenyl)propane Active View
v_312 4-(branched)-Nonylphenol i Active View
v_313 4-Chloro-3,5-xylenol Active View
v_314 3,4-Dichlorophenol Active View
v_315 4-tert-Butylphenol Active View
v_316 4-sec-Butylphenol Active View
v_317 4-Hydroxyacetophenone Active View
v_318 4-tert-Octylphenol polyethoxylate (2) i Active View
v_319 2,2-Bis(4-hydroxyphenyl)butane Active View
v_320 4-Nonylphenol polyethoxylate (2) i Active View
v_321 Diethylstilbestrol Active View
v_322 17α-Ethynylestradiol Active View
v_323 β-estradiol-17-acetate i Active View
v_324 n-Propyl 4-hydroxybenzoate Active View
v_325 Methyl 4-hydroxybenzoate Active View
v_326 Coumestrol Active View
v_327 Estriol Active View
v_328 Apigenin Active View
v_329 Dihydrotestosterone Active View
v_330 Estrone Active View
v_331 Equol Active View
v_332 17α-Estradiol Active View
v_333 3-Hydroxy benzo[a]pyrene Active View
v_334 4-Hydroxy-2',4',6'-trichlorobiphenyl Active View
v_335 2-Hydroxy benzo[a]pyrene Active View
v_336 8-Hydroxy-3,4,6-trichlorodibenzofuran Active View
v_337 2-Hydroxyfluorene Active View
v_338 7-Hydroxy-3,4-dichlorodibenzofuran Active View
v_339 8-Hydroxy-2,3,4-trichlorodibenzofuran Active View
v_340 8-Hydroxy-3,4-dichlorodibenzofuran Active View
v_341 3,8-Dihydroxy-2-chlorodibenzofuran Active View
v_342 8-Hydroxy-3-chlorodibenzofuran Active View
v_343 8-Hydroxy-2-chlorodibenzofuran Active View

Bibliography

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  2. Nishihara, T.; Nishikawa, J.-i.; Kanayama, T.; Dakeyama, F.; Saito, K.; Imagawa, M.; Takatori, S.; Kitagawa, Y.; Hori, S.; Utsumi, H. Estrogenic Activities of 517 Chemicals by Yeast Two-Hybrid Assay. J. Health Sci. 2000, 46, 282–298. http://dx.doi.org/10.1248/jhs.46.282