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: | 234 | |
|---|---|---|
| Name: | Isovelleral | |
| Description: | ||
| Labels: | ||
| CAS: | 37841-91-1 | |
| InChi Code: | InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1 |
Properties
MCGM: Mammalian cell gene mutation test class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| non-mutagen |
Eq5: Model for α,β-unsaturated carbonyl compounds (Test set) |