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ChemicalBook--->CAS DataBase List--->130405-40-2

130405-40-2

130405-40-2 Structure

130405-40-2 Structure
IdentificationBack Directory
[Name]

(-)-CATECHIN GALLATE
[CAS]

130405-40-2
[Synonyms]

(-)-CG
ECSMSZS
BCatechin gallate
()-Catechin gallat
(-)-CATECHIN GALLATE
(?)-Catechin Gallate
(-)-Catechin 3-gallate
CATECHIN GALLATE, (-)-
(-)-Catechin gallate(CG)
(-)-Catechin 3-O-gallate)
()-Catechin gallate, >=98%
Choriogonadotropin subunit β
(-)-Catechin gallate (-)-CG
Chorionic gonadotrophin chain β
ANTI-CG antibody produced in mouse
Catechin gallate/(-)-Catechin gallate
Catechin gallate CG (-)-Catechin gallate
(-)-Catechin gallate, 98%, from Green tea
(-)-Catechin gallate ((-)-Catechin 3-gallate
Anti-HCG β, C-Terminal antibody produced in rabbit
(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroMan-3-yl 3,4,5-trihydroxybenzoate
(2S,3R)-2-(3,4-Dihydroxyphenyl)-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol
(2S,3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-1(2H)-BENZOPYRAN-3,5,7-TRIOL 3-(3,4,5-TRIHYDROXYBENZOATE)
3,4,5-Trihydroxybenzoic Acid (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl Ester
3,4,5-Trihydroxybenzoic acid [[(2S)-2β-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran]-3α-yl] ester
Benzoic acid, 3,4,5-trihydroxy-, (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
()-Catechin gallate,(2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
[Molecular Formula]

C22H18O10
[MDL Number]

MFCD00214258
[MOL File]

130405-40-2.mol
[Molecular Weight]

442.37
Chemical PropertiesBack Directory
[Melting point ]

248-251 °C (decomp)
[Boiling point ]

861.7±65.0 °C(Predicted)
[density ]

1.80±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Ethanol (Slightly)
[form ]

Solid
[pka]

7.75±0.25(Predicted)
[color ]

Pale Yellow to Light Red
[biological source]

green tea
[InChIKey]

LSHVYAFMTMFKBA-CTNGQTDRSA-N
[LogP]

2.670 (est)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

29329990
Hazard InformationBack Directory
[Uses]

A major component of green tea, is a dual phosphoinositide-3-kinase/mTOR inhibitor.
[Definition]

ChEBI: (-)-catechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin. It has a role as a metabolite. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-catechin and a gallic acid. It is an enantiomer of a (+)-catechin-3-O-gallate.
[General Description]

(?)-Catechin gallate belongs to a class of polyphenol compounds that are formed when catechins in green tea undergo epimerization on heat treatment. It is a naturally occurring flavanol catechin having a galloyl moiety.
[Biochem/physiol Actions]

Antioxidant constituent of green tea. At μM concentrations, it inhibits VEGF-induced tyrosine phosphorylation. It also inhibits aromatase activity, an enzyme that converts androgens to estrogen and is thought to play a role in the etiology of breast cancer.
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