From: TMDB: A literature-curated database for small molecular compounds found from tea
TMDB ID | TMDB00001 |
---|---|
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 | Â |
Formula | C22H18O11 |
Mol weight | 458.37172 |
Compound classification | Catechins, Flavonoids |
Tea taxonomy | Green tea, Black tea, Oolong tea, Dark tea |
Latin name | Camellia sinensis |
Chemists | Bao Guanhu, Zhu Yunfei |
Initial amount | 1 g |
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 | Â |
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 | Â |
MS data | Â |
MS/MS data | Â |
Pathways | Flavonoid |
KEGG map | map00941 |
HMDB ID | HMDB03153 |
Pubmed ID | CID 65064 |