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: | 217 | |
|---|---|---|
| Name: | 9-hydroxyisovelleral | |
| Description: | ||
| Labels: | ||
| CAS: | 96910-71-3 | |
| InChi Code: | InChI=1S/C15H20O3/c1-12(2)5-11-13(3)8-14(13,9-17)10(6-16)4-15(11,18)7-12/h4,6,9,11,18H,5,7-8H2,1-3H3 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Test set) |
MCGM: Mammalian cell gene mutation test class
| Value | Source or prediction |
|---|---|
| non-mutagen |
experimental value |
| non-mutagen |
Eq5: Model for α,β-unsaturated carbonyl compounds (Training set) |