30462-34-1

30462-34-1 structure

Name: Theaflavin-3-gallate
Chemical 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
CAS Number: 30462-34-1
Molecular Formula: C₃₆H₂₈O₁₆
Molecular Weight: 716.598
Catalog: Biochemical Chinese herbal medicine ingredients
Create Date: 2018-08-11 22:23:53
Modify Date: 2024-01-02 20:55:03
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].

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
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

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	Research Areas >> Cancer Signaling Pathways >> Others >> Others
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.

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℃

989-51-5

490-46-0

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

1257-08-5

970-74-1

30462-34-1

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

Precursor 4
989-51-5 490-46-0 1257-08-5 970-74-1
DownStream 0

30462-34-1	28543-07-9
30462-35-2	4670-05-7
31629-79-5	989-51-5
106533-62-4	126715-93-3
126715-90-0	108907-43-3
1158522-08-7	940364-43-2
134104-43-1	131615-57-1
1779127-38-6	6906-52-1
930439-75-1	1018584-77-4
1375289-11-4	849349-65-1