Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	17
	Name:	9-hydroxyvelleral
	Description:
	Labels:
	CAS:	96910-73-5
	InChi Code:	InChI=1S/C15H20O3/c1-10-4-11(7-16)12(8-17)5-15(18)9-14(2,3)6-13(10)15/h4-5,7-8,10,13,18H,6,9H2,1-3H3

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)