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CHEBI:2941 - axillarin

Default Structure
ChEBI IDCHEBI:2941
ChEBI Nameaxillarin
Stars
DefinitionA dimethoxyflavone that is the 3,6-dimethyl ether derivative of quercetagetin.
Last Modified2 June 2015
DownloadsMolfile
FormulaC17H14O8
Net Charge0
Average Mass346.291
Monoisotopic Mass346.06887
SMILESCOc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
InChIInChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
InChIKeyKIGVXRGRNLQNNI-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Artemisia chinensis (ncbitaxon:99046) - PubMed (24689280)
Roles Classification
Biological Role:
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)
axillarin (CHEBI:2941) has functional parent quercetagetin (CHEBI:8695)
axillarin (CHEBI:2941) has role plant metabolite (CHEBI:76924)
axillarin (CHEBI:2941) is a dimethoxyflavone (CHEBI:23798)
axillarin (CHEBI:2941) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one
Synonyms  Source
3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavoneChemIDplus
3,6-DimethoxyquercetagetinChemIDplus
Quercetagetin 3,6-dimethyl etherKEGG COMPOUND
Manual XrefsDatabases
AxillarinWikipedia
C00004684KNApSAcK
C10021KEGG COMPOUND
LMPK12112990LIPID MAPS
Registry NumbersSources
Reaxys:1269336Reaxys
CAS:5188-73-8ChemIDplus
CAS:5188-73-8KEGG COMPOUND
Citations