Metabolites detail
information!
| 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 |
|
| Formula | C22H18O11 |
| Molecular weight | 458.37172 |
| Compound classification | Catechins, Flavonoids |
|
Sources
|
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 |
| HMDB ID | HMDB03153 |
| PubChem ID | CID 65064 |