| Identification | Back Directory | [Name]
THEAFLAVINE-3-GALLATE | [CAS]
30462-34-1 | [Synonyms]
Theaflavin 2
Theaflavin 2A
Theaflavin gallate A
THEAFLAVINE-3-GALLATE
THEAFLAVINMONOGALLATES
THEAFLAVINMONOGALLATEA
THEAFLAVIN 3-O-GALLATE
Theaflavin monogallate
THEAFLAVIN3GALLATE(3-ISOMER)
THEAFLAVINE-3-GALLATE USP/EP/BP
3,4,6-Trihydroxy-1-[(2S,3S)-3,5,7-trihydroxychroman-2-yl]-8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)chroman-2-yl]-5H-benzocyclohepten-5-one
[(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
Benzoic acid, 3,4,5-trihydroxy-, 2-(1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-(2alpha(2R*,3R*),3alpha))- | [Molecular Formula]
C36H28O16 | [MDL Number]
MFCD06798939 | [MOL File]
30462-34-1.mol | [Molecular Weight]
716.6 |
| Questions And Answer | Back Directory | [Description]
Theaflavin-3-gallate is a theaflavin derivative. It can be found in abundance in black tea and is produced during fermentation.It has been studied as a cancer-fighting chemical when combined with cisplatin against ovarian cancer cells. | [Formation]
Theaflavin-3-gallate is a crystalline solid. |
| 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]
6.65±0.20(Predicted) | [color ]
Orange-red | [Major Application]
food and beverages | [InChIKey]
KMJPKUVSXFVQGZ-WQLSNUALSA-N | [SMILES]
C(O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1C=C(O)C(=O)C2=C(O)C(O)=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=C2C=1)(=O)C1=CC(O)=C(O)C(O)=C1 | [LogP]
2.329 (est) |
| Hazard Information | Back Directory | [Chemical Properties]
Brown-red powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from black tea. | [Uses]
food and beverages |
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