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CHEBI:3690 - chrysosplenol C

ChEBI IDCHEBI:3690
ChEBI Namechrysosplenol C
Stars
DefinitionA trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin.
Last Modified4 June 2015
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1cc(-c2oc3cc(OC)c(O)c(O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C18H16O8/c1-23-10-6-8(4-5-9(10)19)17-18(25-3)16(22)13-11(26-17)7-12(24-2)14(20)15(13)21/h4-7,19-21H,1-3H3
InChIKeyQQBSPLCHDUCBNM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Inula aschersoniana (ncbitaxon:557639) aerial part (BTO:0001658) PubMed (25233586)
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.
antiviral agent  A substance that destroys or inhibits replication of viruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
chrysosplenol C (CHEBI:3690) has functional parent quercetagetin (CHEBI:8695)
chrysosplenol C (CHEBI:3690) has role antineoplastic agent (CHEBI:35610)
chrysosplenol C (CHEBI:3690) has role antiviral agent (CHEBI:22587)
chrysosplenol C (CHEBI:3690) has role plant metabolite (CHEBI:76924)
chrysosplenol C (CHEBI:3690) is a trihydroxyflavone (CHEBI:27116)
chrysosplenol C (CHEBI:3690) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
Synonyms  Source
Quercetagetin 3,7,3'-trimethyl etherKEGG COMPOUND
4',5,6-trihydroxy-3,3',7-trimethoxyflavoneChEBI
Manual XrefsDatabases
C10031KEGG COMPOUND
C00001031KNApSAcK
LMPK12112982LIPID MAPS
Registry NumbersSources
Reaxys:1441253Reaxys
CAS:23370-16-3KEGG COMPOUND
CAS:23370-16-3ChemIDplus
Citations