Table 2 Each compound entry contains averagely 24 data fields

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

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

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

MS/MS data

Pathways

Flavonoid

KEGG map

map00941

HMDB ID

HMDB03153

Pubmed ID

CID 65064