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:	6
	Name:	Riddelliine
	Description:
	Labels:
	CAS:	23246-96-0
	InChi Code:	InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-

Properties

AMES: Ames test mutagenicity class

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