vestitol (CHEBI:69088)

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ChEBI Name	vestitol

ChEBI ID	CHEBI:69088

Definition	A member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2ʼ and a methoxy group at position 4ʼ. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O4

Net Charge

Average Mass

272.29580

Monoisotopic Mass

272.10486

InChI

InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3

InChIKey

XRVFNNUXNVWYTI-UHFFFAOYSA-N

SMILES

COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1

Metabolite of Species	Details
Glycyrrhiza uralensis (NCBI:txid74613)	Found in root (BTO:0001188). Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. phytoalexin A toxin made by a plant that acts against an organism attacking it.

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	vestitol (CHEBI:69088) has role anti-inflammatory agent (CHEBI:67079) vestitol (CHEBI:69088) has role phytoalexin (CHEBI:26115) vestitol (CHEBI:69088) has role plant metabolite (CHEBI:76924) vestitol (CHEBI:69088) is a aromatic ether (CHEBI:35618) vestitol (CHEBI:69088) is a hydroxyisoflavans (CHEBI:76250) vestitol (CHEBI:69088) is a methoxyisoflavan (CHEBI:77002)

Incoming	(+)-vestitol (CHEBI:9971) is a vestitol (CHEBI:69088)

IUPAC Name

3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

Last Modified

16 January 2014