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: | 37 | |
|---|---|---|
| Name: | 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]- | |
| Description: | ||
| Labels: | ||
| CAS: | 603-45-2 | |
| InChi Code: | InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H |
Properties
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -1.5 |
experimental value |
| -1.08 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |