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

ChEBI IDCHEBI:18016
ChEBI Name3',4',5-trihydroxy-3,6,7-trimethoxyflavone
Stars
DefinitionA trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin.
Secondary ChEBI IDsCHEBI:1320, CHEBI:11670, CHEBI:19823
Last Modified13 November 2017
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCOc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC
InChIInChI=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
InChIKeyBYWLLSQTJBXAPV-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3',4',5-Trihydroxy-3,6,7-trimethoxyflavoneKEGG COMPOUND
Chrysosplenol DKEGG COMPOUND
quercetagetin 3,6,7-trimethyl etherChEBI
UniProt Name  Source
3',4',5-trihydroxy-3,6,7-trimethoxyflavoneUniProt
Manual XrefsDatabases
C04552KEGG COMPOUND
C04552KEGG COMPOUND
LMPK12112998LIPID MAPS
C00004692KNApSAcK
Registry NumbersSources
Reaxys:350587Reaxys
Citations