Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	298
	Name:	5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Biochanin A
	Labels:
	CAS:	491-80-5
	InChi Code:	InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

Value	Source or prediction
-2.37	experimental value
-1.742	Tab2.Model_4: EDC estrogen receptor binding (Training set)