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:Tab3-2
Name:2-Phytyl-2-methylchroman-6-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C30H50O2/c1-23(2)10-7-11-24(3)12-8-13-25(4)14-9-15-26(5)18-20-30(6)21-19-27-22-28(31)16-17-29(27)32-30/h16-18,22-25,31H,7-15,19-21H2,1-6H3/b26-18+/t24-,25-,30?/m1/s1

Properties

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

ValueSource or prediction
-0.25

experimental value

-0.11

Eq12: Model for vitamin E derivatives (Training set)