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CHEBI:69088 - vestitol

ChEBI IDCHEBI:69088
ChEBI Namevestitol
Stars
DefinitionA member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity.
Last Modified16 January 2014
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1ccc(C2COc3cc(O)ccc3C2)c(O)c1
InChIInChI=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
InChIKeyXRVFNNUXNVWYTI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycyrrhiza uralensis (ncbitaxon:74613) root (BTO:0001188) PubMed (22074222) Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier
Roles Classification
Biological Roles:
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:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(+)-vestitol (CHEBI:9971) is a vestitol (CHEBI:69088)
IUPAC Name 
3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Registry NumbersSources
Reaxys:1393626Reaxys
CAS:56701-24-7ChemIDplus
Citations