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:	234
	Name:	Isovelleral
	Description:
	Labels:
	CAS:	37841-91-1
	InChi Code:	InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1

Properties

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
mutagen	experimental value
non-mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Test set)