129 compounds | Property M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| ID | Name | M4.logRBA | Details |
|---|---|---|---|
| 219 | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol i | 2.6 | View |
| 220 | 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol i | 2.48 | View |
| 221 | (1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,14-diol i | 2.28 | View |
| 222 | 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol i | 2.24 | View |
| 223 | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,14-diol i | 2 | View |
| 224 | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,6,14-triol i | 1.82 | View |
| 225 | (4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one i | 1.63 | View |
| 226 | (1S,4aS,4bR,5R,10bS,12aS)-12a-methyl-5-{9-[(S)-4,4,5,5,5-pentafluoropentanesulfinyl]nonyl}-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysene-1,8-diol i | 1.57 | View |
| 227 | 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol i | 1.57 | View |
| 228 | (3S,7S)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one i | 1.48 | View |
| 229 | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-triene-4,5,14-triol i | 1.47 | View |
| 230 | 4-[(3E)-4-(4-methoxyphenyl)hex-3-en-3-yl]phenol i | 1.31 | View |
| 231 | 4-[(3R,4S)-4-(3,4-dihydroxyphenyl)hexan-3-yl]benzene-1,2-diol i | 1.19 | View |
| 232 | 3-[(1E)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol i | 1.18 | View |
| 233 | 4-[(2E)-3-(4-hydroxyphenyl)but-2-en-2-yl]phenol i | 1.16 | View |
| 234 | 11-[(1S,4aS,4bR,5R,10bS,12aS)-1,8-dihydroxy-12a-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-5-yl]-N-butyl-N-methylundecanamide i | 1.16 | View |
| 235 | (1S,10S,11S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-5-ol i | 1.14 | View |
| 236 | (1S,10S,11S,14R,15S,17S)-14-ethynyl-17-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,14-diol i | 1.14 | View |
| 237 | 4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol i | 0.97 | View |
| 238 | 4-[(3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl]-2,6-dimethylphenol i | 1.11 | View |
| 239 | (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,13,14-triol i | 0.99 | View |
| 240 | (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-one i | 0.86 | View |
| 241 | 4-[(3S,4R)-4-(4-methylphenyl)hexan-3-yl]phenol i | 0.6 | View |
| 242 | 4-[(3S,4S)-4-(4-hydroxyphenyl)hexan-3-yl]phenol i | 0.56 | View |
| 243 | (1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,14-diol i | 0.49 | View |
| 244 | 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol i | 0.42 | View |
| 245 | (1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-ol i | 0.35 | View |
| 246 | (3S)-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecine-1,7-dione i | 0.32 | View |
| 247 | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine i | 0.21 | View |
| 248 | (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine i | 0.14 | View |
| 249 | (3S)-3-(6-hydroxynaphthalen-2-yl)-2,2-dimethylpentanoic acid i | -0.02 | View |
| 250 | 4-ethyl-7-hydroxy-3-(4-methoxyphenyl)-2H-chromen-2-one i | -0.05 | View |
| 251 | 5,14-dihydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11(16),12,14-heptaen-9-one i | -0.05 | View |
| 252 | (2-{4-[(1E)-1,2-diphenylprop-1-en-1-yl]phenoxy}ethyl)diethylamine i | -0.14 | View |
| 253 | 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine i | -0.14 | View |
| 254 | (1S,8S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,8,14-triol i | -0.15 | View |
| 255 | (3S,7S)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one i | -0.19 | View |
| 256 | (1S,10S,11R,15R)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-13-one i | -0.29 | View |
| 257 | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-ol i | -0.3 | View |
| 258 | 3,6-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one i | -0.35 | View |
| 259 | 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one i | -0.36 | View |
| 260 | 4-[2-(4-hydroxyphenyl)ethenyl]phenol i | -0.55 | View |
| 261 | 4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol i | -0.6 | View |
| 262 | 4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenol i | -0.63 | View |
| 263 | 2',3',4',5'-tetrachloro-[1,1'-biphenyl]-4-ol i | -0.64 | View |
| 264 | (1S,10R,11S,14R,15S)-14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-2(7)-en-5-one i | -0.67 | View |
| 265 | bis(2,4-dihydroxyphenyl)ethane-1,2-dione i | -0.68 | View |
| 266 | (3S,7S,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one i | -0.69 | View |
| 267 | (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol i | -0.82 | View |
| 268 | 6-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one i | -0.82 | View |
| 269 | 4-[(1S)-2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenol i | -0.89 | View |
| 270 | (1S,2S,5S,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol i | -0.92 | View |
| 271 | 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol i | -1.07 | View |
| 272 | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one i | -1.16 | View |
| 273 | 1-methoxy-4-[(3E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene i | -1.25 | View |
| 274 | 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one i | -1.26 | View |
| 275 | 4-[2-(4-hydroxyphenyl)ethyl]phenol i | -1.44 | View |
| 276 | 2',5'-dichloro-[1,1'-biphenyl]-4-ol i | -1.44 | View |
| 277 | (1S,10R,11S,13S,14R,15S)-13,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-5,13,14-triol i | -1.48 | View |
| 278 | 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one i | -1.5 | View |
| 279 | 4-[(2R,4R)-4,6-dimethylheptan-2-yl]phenol i | -1.53 | View |
| 280 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one i | -1.55 | View |
| 281 | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one i | -1.61 | View |
| 282 | 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one i | -1.65 | View |
| 283 | (1S,10R,11S,13R,14R,15S)-5-methoxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-triene-13,14-diol i | -1.65 | View |
| 284 | 4-dodecylphenol i | -1.73 | View |
| 285 | (2R)-2-ethylhexyl 4-hydroxybenzoate i | -1.74 | View |
| 286 | 4-(2,4,4-trimethylpentan-2-yl)phenol i | -1.82 | View |
| 287 | 3,3-bis(4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-1-one i | -1.87 | View |
| 288 | decachloropentacyclo[5.3.0.0²,⁶.0³,⁹.0⁴,⁸]decan-5-one i | -1.89 | View |
| 289 | heptyl 4-hydroxybenzoate i | -2.09 | View |
| 290 | 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol i | -2.11 | View |
| 291 | (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one i | -2.13 | View |
| 292 | 4'-chloro-[1,1'-biphenyl]-4-ol i | -2.18 | View |
| 293 | (1S,10R,11S,15S)-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-one i | -2.2 | View |
| 294 | 4-(2-phenylpropan-2-yl)phenol i | -2.3 | View |
| 295 | 4-octylphenol i | -2.31 | View |
| 296 | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one i | -2.35 | View |
| 297 | 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one i | -2.35 | View |
| 298 | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one i | -2.37 | View |
| 299 | 1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one i | -2.43 | View |
| 300 | 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol i | -2.45 | View |
| 301 | 4-(4-hydroxybenzoyl)phenol i | -2.46 | View |
| 302 | benzyl 4-hydroxybenzoate i | -2.54 | View |
| 303 | 3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one i | -2.55 | View |
| 304 | 4-benzoylbenzene-1,3-diol i | -2.61 | View |
| 305 | (2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one i | -2.65 | View |
| 306 | (1S,2S,5R,7S,10R,11S,14S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol i | -2.67 | View |
| 307 | 4-(2-phenylethyl)phenol i | -2.69 | View |
| 308 | 5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one i | -2.74 | View |
| 309 | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one i | -2.75 | View |
| 310 | 2-chloro-[1,1'-biphenyl]-4-ol i | -2.77 | View |
| 311 | (2S)-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one i | -2.78 | View |
| 312 | (1,2-diphenylethenyl)benzene i | -2.78 | View |
| 313 | 1,3-diphenylprop-2-en-1-one i | -2.82 | View |
| 314 | 1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene i | -2.85 | View |
| 315 | 4-(heptyloxy)phenol i | -2.88 | View |
| 316 | (1R,2R,7R,10S,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one i | -2.89 | View |
| 317 | 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one i | -2.98 | View |
| 318 | 4-[(4-hydroxyphenyl)methyl]phenol i | -3.02 | View |
| 319 | [1,1'-biphenyl]-4-ol i | -3.04 | View |
| 320 | (2S)-6-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one i | -3.05 | View |
| 321 | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one i | -3.05 | View |
| 322 | butyl 4-hydroxybenzoate i | -3.07 | View |
| 323 | 4-(4-hydroxybenzenesulfonyl)phenol i | -3.07 | View |
| 324 | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one i | -3.35 | View |
| 325 | 4,4-bis(4-hydroxyphenyl)pentanoic acid i | -3.13 | View |
| 326 | {[dimethyl(phenyl)silyl]oxy}dimethylphenylsilane i | -3.16 | View |
| 327 | propyl 4-hydroxybenzoate i | -3.22 | View |
| 328 | ethyl 4-hydroxybenzoate i | -3.22 | View |
| 329 | 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'-diol i | -3.25 | View |
| 330 | 3,3-bis(4-hydroxyphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione i | -3.25 | View |
| 331 | 4-(2-methylbutan-2-yl)phenol i | -3.26 | View |
| 332 | 4-[(2S)-butan-2-yl]phenol i | -3.37 | View |
| 333 | 4-chloro-3-methylphenol i | -3.38 | View |
| 334 | 6-hydroxy-2-phenyl-4H-chromen-4-one i | -3.41 | View |
| 335 | [1,1'-biphenyl]-3-ol i | -3.44 | View |
| 336 | 4-(benzyloxy)phenol i | -3.44 | View |
| 337 | methyl 4-hydroxybenzoate i | -3.44 | View |
| 338 | 2-[(2S)-butan-2-yl]phenol i | -3.54 | View |
| 339 | 4-tert-butylphenol i | -3.61 | View |
| 340 | 2,4'-dichloro-1,1'-biphenyl i | -3.61 | View |
| 341 | 2-chloro-4-methylphenol i | -3.66 | View |
| 342 | 4-chloro-2-methylphenol i | -3.67 | View |
| 343 | 2-[bis(4-hydroxyphenyl)methyl]benzoic acid i | -3.67 | View |
| 344 | (2S)-7-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one i | -3.73 | View |
| 345 | 3-ethylphenol i | -3.87 | View |
| 346 | 4-ethylphenol i | -4.17 | View |
| 347 | 4-methylphenol i | -4.5 | View |
Liu, H.; Papa, E.; Gramatica, P. QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles. Chem. Res. Toxicol. 2006, 19, 1540–1548. http://dx.doi.org/10.1021/tx0601509