Theaflavin-3-gallate

Modify Date: 2024-01-02 20:55:03

Theaflavin-3-gallate Structure
Theaflavin-3-gallate structure
Common Name Theaflavin-3-gallate
CAS Number 30462-34-1 Molecular Weight 716.598
Density 1.8±0.1 g/cm3 Boiling Point 1202.8±65.0 °C at 760 mmHg
Molecular Formula C36H28O16 Melting Point N/A
MSDS N/A Flash Point 382.0±27.8 °C

 Use of Theaflavin-3-gallate


Theaflavin-3-gallate, a black tea theaflavin monomer, is regarded as the biologically important active component of black tea and provides health benefits. Theaflavin-3-gallate acts as prooxidants and induces oxidative stress in the carcinoma cells. Theaflavin-3-gallate reacts directly with reduced glutathione (GSH) in a time- and concentration-dependent manner[1].

 Names

Name [(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
Synonym More Synonyms

 Theaflavin-3-gallate Biological Activity

Description Theaflavin-3-gallate, a black tea theaflavin monomer, is regarded as the biologically important active component of black tea and provides health benefits. Theaflavin-3-gallate acts as prooxidants and induces oxidative stress in the carcinoma cells. Theaflavin-3-gallate reacts directly with reduced glutathione (GSH) in a time- and concentration-dependent manner[1].
Related Catalog
References

[1]. Babich H, et al. Theaflavin-3-gallate and theaflavin-3'-gallate, polyphenols in black tea with prooxidant properties. Basic Clin Pharmacol Toxicol. 2008 Jul;103(1):66-74.

 Chemical & Physical Properties

Density 1.8±0.1 g/cm3
Boiling Point 1202.8±65.0 °C at 760 mmHg
Molecular Formula C36H28O16
Molecular Weight 716.598
Flash Point 382.0±27.8 °C
Exact Mass 716.137756
PSA 284.36000
LogP 2.45
Vapour Pressure 0.0±0.3 mmHg at 25°C
Index of Refraction 1.830
Storage condition 2-8℃

 Synthetic Route

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Theaflavin-3-gallate Structure

Theaflavin-3-gallate

CAS#:30462-34-1

Literature: Sang, Shengmin; Lambert, Joshua D.; Tian, Shiying; Hong, Jungil; Hou, Zhe; Ryu, Jae-He; Stark, Ruth E.; Rosen, Robert T.; Huang, Mou-Tuan; Yang, Chung S.; Ho, Chi-Tang Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 2 p. 459 - 467

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Theaflavin-3-gallate Structure

Theaflavin-3-gallate

CAS#:30462-34-1

Literature: US2005/49284 A1, ; Page/Page column 12 ;

 Synonyms

Theaflavin monogallate A
Benzoic acid, 3,4,5-trihydroxy-, 1,8-bis[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-4,6-dihydroxy-5-oxo-5H-benzocyclohepten-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
theaflavin-3-gallate
Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,5-trihydroxy-6-oxo-6H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
4,6-Dihydroxy-5-oxo-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-3-yl 3,4,5-trihydroxybenzoate
theaflavin-3'-O-gallate
(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]-6H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
(2R,3R)-5,7-Dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-5H-benzo[7]annulen-8-yl}-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate