EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9941 - velloquercetin

Default Structure
ChEBI IDCHEBI:9941
ChEBI Namevelloquercetin
Stars
DefinitionAn extended flavonoid that consists of quercetin substituted by a 2-isopropenyldihydrofuran ring across positions 6 and 7.
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESC=C(C)C1Cc2c(cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)O1
InChIInChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3
InChIKeyYFDRNZOCVRPNBL-UHFFFAOYSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
velloquercetin (CHEBI:9941) has functional parent quercetin (CHEBI:16243)
velloquercetin (CHEBI:9941) has role metabolite (CHEBI:25212)
velloquercetin (CHEBI:9941) has role plant metabolite (CHEBI:76924)
velloquercetin (CHEBI:9941) is a extended flavonoid (CHEBI:71037)
velloquercetin (CHEBI:9941) is a flavonols (CHEBI:28802)
velloquercetin (CHEBI:9941) is a furochromene (CHEBI:39432)
velloquercetin (CHEBI:9941) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one
Synonym  Source
2''-isopropenyldihydrofurano(4'',5'':6,7)quercetinChEBI
Manual XrefsDatabases
C00005099KNApSAcK
C10194KEGG COMPOUND
LMPK12112283LIPID MAPS
Registry NumbersSources
Reaxys:5360077Reaxys
CAS:139955-63-8KEGG COMPOUND