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:	321
	Name:	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Baicalein
	Labels:
	CAS:	491-67-8
	InChi Code:	InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

Properties

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

Value	Source or prediction
-3.05	experimental value
-2.6159	Tab2.Model_4: EDC estrogen receptor binding (Training set)