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:Tab3-13
Name:2-Phytyl-6-hydroxy-2,5,7-trimethylchroman
Description:
Labels:
CAS:
InChi Code:InChI=1S/C32H54O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)18-20-32(8)21-19-29-28(7)31(33)27(6)22-30(29)34-32/h18,22-25,33H,9-17,19-21H2,1-8H3/b26-18+/t24-,25-,32?/m1/s1

Properties

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

ValueSource or prediction
0.38

experimental value

0.47

Eq12: Model for vitamin E derivatives (Training set)