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CHEBI:3718 - cirsilineol

ChEBI IDCHEBI:3718
ChEBI Namecirsilineol
Stars
DefinitionA trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively.
Last Modified4 June 2015
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O
InChIInChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
InChIKeyVKOSQMWSWLZQPA-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Artemisia chinensis (ncbitaxon:99046) leaf (BTO:0000713) 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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
cirsilineol (CHEBI:3718) has functional parent flavone (CHEBI:42491)
cirsilineol (CHEBI:3718) has role antineoplastic agent (CHEBI:35610)
cirsilineol (CHEBI:3718) has role plant metabolite (CHEBI:76924)
cirsilineol (CHEBI:3718) is a dihydroxyflavone (CHEBI:38686)
cirsilineol (CHEBI:3718) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
Manual XrefsDatabases
C10032KEGG COMPOUND
C00013595KNApSAcK
LMPK12111249LIPID MAPS
CirsilineolWikipedia
Registry NumbersSources
Reaxys:1355108Reaxys
CAS:41365-32-6KEGG COMPOUND
CAS:41365-32-6ChemIDplus
Citations