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:Tab4-27
Name:delphinidin
Description:
Labels:
CAS:
InChi Code:InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1

Properties

TEAC: Trolox equivalent antioxidant capacity i

ValueSource or prediction
4.44

experimental value

3.23

Eq15: Model for flavonoids and related phenolic compounds (Training set)