FL63AGNS0002

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

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.
(more ...)

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	970-73-0
KEGG	{{{KEGG}}}
KNApSAcK	C00008817
CDX file
MOL file	FL63AGNS0002.mol

(+) -Gallocatechin
Structural Information
Systematic Name	(2R,3S) -3,4-Dihydro-2- (3,4,5-trihydroxyphenyl) -2H-1-benzopyran-3,5,7-triol
Common Name	(+) -Gallocatechin (+) -Gallocatechol Gallocatechin (2R,3S) -3,4-Dihydro-2- (3,4,5-trihydroxyphenyl) -2H-1-benzopyran-3,5,7-triol
Symbol
Formula	C15H14O7
Exact Mass	306.073952802
Average Mass	306.26746
SMILES	Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1
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

Species-Flavonoid Relationship Reported

Species ID Metabolite Name Reference Camellia sinensis FL63AGNS0002 See above. Weinges_K et al. 1969 Cistus salviifolius FL63AGNS0002 See above. Weinges_K et al. 1969 Croton lechleri FL63AGNS0002 See above. Weinges_K et al. 1969 Ginkgo biloba FL63AGNS0002 See above. Weinges_K et al. 1969 Hordeum vulgare FL63AGNS0002 See above. Weinges_K et al. 1969 Kandelia candel FL63AGNS0002 See above. Weinges_K et al. 1969 Stryphnodendron adstringens FL63AGNS0002 See above. Weinges_K et al. 1969 Vaccinium vitis-idaea FL63AGNS0002 See above. Weinges_K et al. 1969