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: | 235 | |
|---|---|---|
| Name: | Velleral | |
| Description: | Name and CAS do not match | |
| Labels: | ||
| CAS: | 50656-61-6 | |
| InChi Code: | InChI=1S/C15H20O2/c1-10-4-12(8-16)13(9-17)5-11-6-15(2,3)7-14(10)11/h4-5,8-9,11-12,14H,6-7H2,1-3H3/t11-,12?,14-/m1/s1 |
Properties
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 (Test set) |