| Identification | Back Directory | [Name]
THEAFLAVIN 3'-O-GALLATE | [CAS]
28543-07-9 | [Synonyms]
TF-3'-G
Theaflavin 2B
THEAFLAVINMONOGALLATEB
THEAFLAVIN 3'-O-GALLATE
3'-O-(3,4,5-Trihydroxybenzoyl)
Theaflavin-3'-Gallate (TF-3'-G)
THEAFLAVIN 3'-O-GALLATE USP/EP/BP
THEAFLAVIN3GALLATE(3'-ISOMERICFORM)
[(2S,3R)-5,7-dihydroxy-2-[6,8,9-trihydroxy-5-oxo-3-[(2S,3R)-3,5,7-trihydroxychroman-2-yl]-11-bicyclo[5.4.0]undeca-1,3,6,8,10-pentaenyl]chroman-3-yl] 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid (2R,3R)-2-[8-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[8-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-1-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester | [Molecular Formula]
C36H28O16 | [MDL Number]
MFCD06799455 | [MOL File]
28543-07-9.mol | [Molecular Weight]
716.6 |
| Chemical Properties | Back Directory | [Boiling point ]
1226.9±65.0 °C(Predicted) | [density ]
1.93 | [storage temp. ]
-20°C | [solubility ]
Soluble in ethanol and methan | [form ]
powder | [pka]
6.55±0.20(Predicted) | [color ]
Orange-brown | [Major Application]
food and beverages | [InChIKey]
GPLOTACQBREROW-WQLSNUALSA-N | [SMILES]
C(O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=C2C=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)C=C(O)C(=O)C2=C(O)C(O)=C1)(=O)C1=CC(O)=C(O)C(O)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Brown-yellow powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from black tea. | [Uses]
Theaflavin-3''-O-gallate is a theaflavin found in black tea that has shown to induce apoptosis through promoting mitochondrial dysfunction in human prostate cancer cells. | [Synthesis]
A method for the preparation of theaflavin-3-gallate, using fresh lychee peel as a source of active polyphenol oxidase, and epigallocatechin gallate (EGCG) and epicatechin (EC) as raw materials for the preparation of theaflavin-3-gallate, which was then p | [IC 50]
OX: 7.6 μM (IC50) |
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