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:	296
	Name:	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Fisetin
	Labels:
	CAS:	528-48-3
	InChi Code:	InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

Properties

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

Value	Source or prediction
-2.35	experimental value
-2.6003	Tab2.Model_4: EDC estrogen receptor binding (Training set)