10967/217 - QDB Compounds

QsarDB Repository

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:223
Name:Trans-cinnamaldehyde
Description:
Labels:
CAS:14371-10-9
InChi Code:InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Properties

MCGM: Mammalian cell gene mutation test class

ValueSource or prediction
mutagen

experimental value

mutagen

Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)