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:	297
	Name:	3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3',4',7-Trihydroxy isoflavone
	Labels:
	CAS:	485-63-2
	InChi Code:	InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H

Properties

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

Value	Source or prediction
-2.35	experimental value
-1.9834	Tab2.Model_4: EDC estrogen receptor binding (Training set)