Metabolites detail information!

CAS RN 989-51-5
Entry name 3-O-(3,4,5-Trihydroxybenzoyl) 3,3',4',5,5',7-Hexahydroxyflavan
Synonym(s) 3-O-Galloylepigallocatechin. Teatannin II. Epigallocatechin 3-gallate. EGCG
System Name (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate
2D structure
Formula C22H18O11
Molecular weight 458.37172
Compound classification Catechins, Flavonoids
Green tea, Black tea, Oolong tea, Dark tea
Latin name Camellia sinensis
Chemists Bao Guanhu, Zhu Yunfei
Initial amount 1g
Reported bioactivities Shows anti-HIV activity. Tumour promotion inhibitor, putative cancer chemopreventive agent, affects tumour cell adhesion and invasion. Implicated in occup. asthma in green tea factories. Inhibits metalloproteinases
References J. Chromatogr. A 2005,1083, 223–228; Phytochemistry 2006, 67, 1849-1855; Magn. Reson. Chem. 1996, 34, 887-890. (occur, nmr, ms)
Publication Year(s) 1996. 2005. 2006
1H NMR data 2.71,2.92,4.86,5.42,5.87,6.42,6.86
1H NMR spectrum
13C NMR data 25.9,68.9,77.5,94.7,95.4,98.3,105.7,109.1,120.3,129.5,132.5,138.4,144.9,145.3,155.8,156.4,156.4,166.4
13C NMR spectrum
MS data Not Available
MS spectrum
MS/MS data Not Available
MS/MS spectrum Not Available
Pathways Flavonoid
KEGG map map00941
PubChem ID CID 65064
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