10967/224 - QDB Compounds

QsarDB Repository

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:26
Name:5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
Description:
Labels:
CAS:520-36-5
InChi Code:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

Properties

logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]

ValueSource or prediction
-1.55

experimental value

-0.88

QSAR: Model for estrogen receptor relative binding affinity (Training set)