CHEBI:18016 - 3',4',5-trihydroxy-3,6,7-trimethoxyflavone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3',4',5-trihydroxy-3,6,7-trimethoxyflavone
ChEBI ID CHEBI:18016
Definition A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11670, CHEBI:19823, CHEBI:1320
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H16O8
Net Charge 0
Average Mass 360.31484
Monoisotopic Mass 360.08452
InChI InChI=1S/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3
InChIKey BYWLLSQTJBXAPV-UHFFFAOYSA-N
SMILES COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3',4',5-trihydroxy-3,6,7-trimethoxyflavone (CHEBI:18016) has functional parent quercetagetin (CHEBI:8695)
3',4',5-trihydroxy-3,6,7-trimethoxyflavone (CHEBI:18016) has role antineoplastic agent (CHEBI:35610)
3',4',5-trihydroxy-3,6,7-trimethoxyflavone (CHEBI:18016) has role metabolite (CHEBI:25212)
3',4',5-trihydroxy-3,6,7-trimethoxyflavone (CHEBI:18016) is a trihydroxyflavone (CHEBI:27116)
3',4',5-trihydroxy-3,6,7-trimethoxyflavone (CHEBI:18016) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one
Synonyms Sources
3',4',5-Trihydroxy-3,6,7-trimethoxyflavone KEGG COMPOUND
3',4',5-trihydroxy-3,6,7-trimethoxyflavone UniProt
Chrysosplenol D KEGG COMPOUND
quercetagetin 3,6,7-trimethyl ether ChEBI
Manual Xrefs Databases
C00004692 KNApSAcK
C04552 KEGG COMPOUND
LMPK12112998 LIPID MAPS
View more database links
Registry Number Type Source
350587 Reaxys Registry Number Reaxys
Citations Types Sources
11141110 PubMed citation Europe PMC
18855445 PubMed citation Europe PMC
21469236 PubMed citation Europe PMC
Last Modified
13 November 2017