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:	282
	Name:	7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Daidzein
	Labels:
	CAS:	486-66-8
	InChi Code:	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H

Properties

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

Value	Source or prediction
-1.65	experimental value
-2.1649	Tab2.Model_4: EDC estrogen receptor binding (Training set)