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:Tab3-15
Name:3,​4-​Dihydro-​2,​2-​dimethyl-​5,​7-​bis(1-​methylethyl)​-2H-​1-​Benzopyran-​6-​ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C17H26O2/c1-10(2)13-9-14-12(7-8-17(5,6)19-14)15(11(3)4)16(13)18/h9-11,18H,7-8H2,1-6H3

Properties

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

ValueSource or prediction
0.45

experimental value

0.53

Eq12: Model for vitamin E derivatives (Training set)