FL63AGNS0001

Revision as of 17:02, 18 December 2009

Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol :  FL63AG Gallocatechin and Epigallocatechin (23 pages) :  FL63AGNS Simple substitution (17 pages)

Gallocatechins refer to a subgroup of Flavan 3-ol derivatives (FL63AG). Compared to catechins, they have an additional phenolic hydroxyl group. Catechin gallates are gallic acid esters of the catechins, and (-)-Epigallocatechin gallate (EGCG) is the most abundant catechin in green tea but not in black tea.
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Structure
Name	(+)-Gallocatechin or D-Gallocatechin; GC	(-)-Epigallocatechin or L-Epigallocatechin; EGC	(-)-Gallocatechin or L-Gallocatechin
B-ring stereo	↓	↓	↑
3-Hydroxyl stereo	↑	↓	↓
Gallate form
	(+)-Gallocatechin gallate or GCG	(-)-Epigallocatechin gallate or EGCG	(-)-Gallocatechin gallate
B-ring stereo	↓	↓	↑
3-Hydroxyl stereo	↑	↓	↓
Catechins	(+)-Catechin	(-)-Epicatechin	ent-Catechin

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	989-51-5
KEGG	{{{KEGG}}}
KNApSAcK	C00000958
CDX file
MOL file	FL63AGNS0001.mol

(-) -Epigallocatechin gallate
Structural Information
Systematic Name	(2R-cis) -3,4-Dihydro-5,7-dihydroxy-2- (3,4,5-trihydroxyphenyl) -2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid
Common Name	(-) -Epigallocatechin gallate epi-Gallocatechin 3-O-gallate (2R-cis) -3,4-Dihydro-5,7-dihydroxy-2- (3,4,5-trihydroxyphenyl) -2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid
Symbol
Formula	C22H18O11
Exact Mass	458.084911418
Average Mass	458.37172000000004
SMILES	C(c32)C([H])(OC(c(c4)cc(O)c(O)c(O)4)=O)C(Oc(cc(O)cc3O)2)(c(c1)cc(O)c(O)c(O)1)[H]
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information