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:	258
	Name:	3,6-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,6,4'-Trihydroxyflavone
	Labels:
	CAS:
	InChi Code:	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-7-10(17)5-6-12(11)20-15/h1-7,16-17,19H

Properties

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

Value	Source or prediction
-0.35	experimental value
-2.7284	Tab2.Model_4: EDC estrogen receptor binding (Training set)