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: | 227 | |
|---|---|---|
| Name: | Polygodial | |
| Description: | ||
| Labels: | ||
| CAS: | 33118-34-2 | |
| InChi Code: | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/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) |