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: | 225 | |
|---|---|---|
| Name: | Acetylmerulidial | |
| Description: | ||
| Labels: | ||
| CAS: | 108893-54-5 | |
| InChi Code: | InChI=1S/C17H22O4/c1-10(20)21-14-12-6-15(2,3)5-11(12)13(7-18)17(9-19)8-16(14,17)4/h7,9,12,14H,5-6,8H2,1-4H3/t12-,14+,16+,17+/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 (Training set) |