CHEBI:3690 - chrysosplenol C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chrysosplenol C
ChEBI ID CHEBI:3690
Definition A trimethoxyflavone that is the 3,7,3'-trimethyl ether derivative of quercetagetin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H16O8
Net Charge 0
Average Mass 360.31480
Monoisotopic Mass 360.08452
InChI InChI=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
InChIKey QQBSPLCHDUCBNM-UHFFFAOYSA-N
SMILES COc1cc(ccc1O)-c1oc2cc(OC)c(O)c(O)c2c(=O)c1OC
Metabolite of Species Details
Inula aschersoniana (NCBI:txid557639) Found in aerial part (BTO:0001658). See: PubMed
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4',5,6-trihydroxy-3,3',7-trimethoxyflavone ChEBI
Quercetagetin 3,7,3'-trimethyl ether KEGG COMPOUND
Manual Xrefs Databases
C00001031 KNApSAcK
C10031 KEGG COMPOUND
LMPK12112982 LIPID MAPS
View more database links
Registry Numbers Types Sources
1441253 Reaxys Registry Number Reaxys
23370-16-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15043427 PubMed citation Europe PMC
16124409 PubMed citation Europe PMC
21052017 PubMed citation Europe PMC
25233586 PubMed citation Europe PMC
Last Modified
04 June 2015