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:186
Name:Ferulic acid
Description:
Labels:
CAS:1135-24-6
InChi Code:InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
non-mutagen

experimental value

non-mutagen

Eq6: Model for α,β-unsaturated carbonyl compounds (Test set)