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:Tab3-22
Name:2,​5-​dimethyl-​2-​(4-​methylpentyl)​-2H-​Naphtho[1,​2-​b]​pyran-​6-​ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C21H26O2/c1-14(2)8-7-12-21(4)13-11-16-15(3)19(22)17-9-5-6-10-18(17)20(16)23-21/h5-6,9-11,13-14,22H,7-8,12H2,1-4H3

Properties

Log(ksx10^3): Logarithm of second-order rate constant [Log(M-1 S-1)] i

ValueSource or prediction
1.39

experimental value

1.45

Eq12: Model for vitamin E derivatives (Training set)