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: | 73 | |
|---|---|---|
| Name: | Merulidial | |
| Description: | ||
| Labels: | ||
| CAS: | 68053-32-7 | |
| InChi Code: | InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training 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) |