Theaflavin (original) (raw)

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Theaflavin
Names
Systematic IUPAC name 3,4,5-Trihydroxy-1,8-bis[(2_R_,3_R_)-3,5,7-trihydroxy-3,4-dihydro-2_H_-1-benzopyran-2-yl]-6_H_-benzo[7]annulen-6-one
Identifiers
CAS Number 4670-05-7 ☒N
3D model (JSmol) Interactive image
ChEMBL ChEMBL346119 checkY
ChemSpider 102754 checkY
PubChem CID 114777
UNII 1IA46M0D13 checkY
CompTox Dashboard (EPA) DTXSID40196916 Edit this at Wikidata
InChI InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1 checkYKey: IPMYMEWFZKHGAX-ZKSIBHASSA-N checkYInChI=1/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1Key: IPMYMEWFZKHGAX-ZKSIBHASBU
SMILES c1c(cc(=O)c(c2c1c(cc(c2O)O)[C@@H]3[C@@H](Cc4c(cc(cc4O3)O)O)O)O)[C@@H]5[C@@H](Cc6c(cc(cc6O5)O)O)O
Properties
Chemical formula C29H24O12
Molar mass 564.499 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). ☒N verify (what is checkY☒N ?) Infobox references

Chemical compound

Theaflavin (TF) and its derivatives, known collectively as theaflavins, are antioxidant polyphenols that are formed from the condensation of flavan-3-ols in tea leaves during the enzymatic oxidation (sometimes erroneously referred to as fermentation) of black tea. Theaflavin-3-gallate, theaflavin-3'-gallate, and theaflavin-3-3'-digallate are the main theaflavins.[1] Theaflavins are types of thearubigins, and are therefore reddish in color.

  1. ^ "Theaflavin Effectiveness, Safety, and Drug Interactions on RxList". rxlist.com. Archived from the original on 4 September 2017. Retrieved 24 April 2018.