Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.
Compound
| ID: | 46 | |
|---|---|---|
| Name: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one | |
| Description: | ||
| Labels: | ||
| CAS: | 77-09-8 | |
| InChi Code: | InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.87 |
experimental value |
| -1.35 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |