1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside (CHEBI:67505)

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CHEBI:67505 - 1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside

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ChEBI ID	CHEBI:67505
ChEBI Name	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside
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ASCII Name	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside
Definition	A β-D-glucoside compound having 4,5-dimethoxybenzene-1,3-diol as the anomeric and 4-hydroxy-3,5-dimethoxybenzoic acid as the substituent at position 6. It has been isolated from the stems of Gordonia chrysandra and exhibits inhibitory effect on nitric oxide production.
Last Modified	3 December 2013
Downloads	Molfile

Formula	C23H28O13
Net Charge	0
Average Mass	512.464
Monoisotopic Mass	512.15299
SMILES	COc1cc(C(=O)OC[C@H]2O[C@@H](Oc3cc(O)c(OC)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
InChI	InChI=1S/C23H28O13/c1-30-13-5-10(6-14(31-2)17(13)25)22(29)34-9-16-18(26)19(27)20(28)23(36-16)35-11-7-12(24)21(33-4)15(8-11)32-3/h5-8,16,18-20,23-28H,9H2,1-4H3/t16-,18-,19+,20-,23-/m1/s1
InChIKey	JWKGAUAMNHWOKC-PUIBNRJISA-N

Species of Metabolite	Component	Source	Comments
Gordonia chrysandra (ncbitaxon:182314)	stem (BTO:0001300)	PubMed (21473609)	95% ethanolic extract of air-dried stems

Roles Classification

Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology

Outgoing Relation(s)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) has role anti-inflammatory agent (CHEBI:67079)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) has role metabolite (CHEBI:25212)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) has role plant metabolite (CHEBI:76924)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) is a benzoate ester (CHEBI:36054)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) is a dimethoxybenzene (CHEBI:51681)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) is a monosaccharide derivative (CHEBI:63367)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) is a phenols (CHEBI:33853)
	1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-β-D-glucopyranoside (CHEBI:67505) is a β-D-glucoside (CHEBI:22798)

IUPAC Name
3-hydroxy-4,5-dimethoxyphenyl 6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:21534290	Reaxys

Citations