10967/165 - QDB Compounds

QsarDB Repository

Lien, E. J.; Ren, S.; Bui, H.-H.; Wang, R. Quantitative structure-activity relationship analysis of phenolic antioxidants. Free Radic. Biol. Med. 1999, 26, 285–294.

Compound

ID:Tab1-20
Name:Sesamol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2

Properties

E7: Redox potential [V] i

ValueSource or prediction
0.62

experimental value

0.79

Eq4: Model for phenoxyl radicals with 3 descriptors (Training set)

0.76

Eq6: Model for phenoxyl radicals with 4 descriptors (Training set)

Links to External Resources