10967/216 - QDB Compounds

QsarDB Repository

Benigni, R.; Conti, L.; Crebelli, R.; Rodomonte, A.; Vari’, M. R. Simple and α,β-unsaturated aldehydes: Correct prediction of genotoxic activity through structure-activity relationship models. Environ. Mol. Mutagen. 2005, 46, 268–280.

Compound

ID:Tab3_17
Name:2-Pentenal
Description:
Labels:
CAS:1576-87-0
InChi Code:InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+

Properties

logTA100: Mutagenic potency in strain TA100 [log(revertants/umol)]

ValueSource or prediction
3.14

experimental value

3.15

Eq3: Model for mutagenicityof α,β‐unsaturated aldehydes (Training set)

Mutagenicity: Mutagenic class

ValueSource or prediction
active

experimental value

active

Eq2: Mutagenic classification of α,β‐unsaturated aldehydes (Training set)