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: | Tab4-10 | |
|---|---|---|
| Name: | theaflavin-3,3'-digallate | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1 |
Properties
TEAC: Trolox equivalent antioxidant capacity i
| Value | Source or prediction |
|---|---|
| 6.18 |
experimental value |
| 6.12 |
Eq15: Model for flavonoids and related phenolic compounds (Training set) |