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:	266
	Name:	(3S,7S,11E)-3,4,5,6,7,8,9,10-Octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: b-Zearalenol
	Labels:
	CAS:	71030-11-0
	InChi Code:	InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1

Properties

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

Value	Source or prediction
-0.69	experimental value
0.3347	Tab2.Model_4: EDC estrogen receptor binding (Training set)

Links to External Resources

Link	Resource description
DTXSID8022533	US EPA CompTox Dashboard