EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16514 - 4',5,7-trihydroxy-3'-methoxyflavone

ChEBI IDCHEBI:16514
ChEBI Name4',5,7-trihydroxy-3'-methoxyflavone
Stars
DefinitionThe 3'-O-methyl derivative of luteolin.
Secondary ChEBI IDsCHEBI:2006, CHEBI:12083, CHEBI:20519
Last Modified19 July 2022
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChIInChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
InChIKeySCZVLDHREVKTSH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) has functional parent luteolin (CHEBI:15864)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) has role antineoplastic agent (CHEBI:35610)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) has role antioxidant (CHEBI:22586)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) has role metabolite (CHEBI:25212)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) is a monomethoxyflavone (CHEBI:25401)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) is a trihydroxyflavone (CHEBI:27116)
4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514) is conjugate acid of 4',5-dihydroxy-3'-methoxyflavon-7-olate(1−) (CHEBI:57799)
Incoming Relation(s)
6-C-(α-L-arabinosyl)-8-C-(β-L-arabinosyl)chrysoeriol (CHEBI:131758) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
7-O-(6-p-coumaroylglucosyl)chrysoeriol (CHEBI:75509) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
7-O-[α-L-rhamnosyl-(1→2)-β-D-glucosyl]chrysoeriol (CHEBI:75523) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
chrysoeriol 7-O-gentiobioside (CHEBI:75398) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
geraldone (CHEBI:5326) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
isoscoparin (CHEBI:18200) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
velutin (CHEBI:177047) has functional parent 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
4',5-dihydroxy-3'-methoxyflavon-7-olate(1−) (CHEBI:57799) is conjugate base of 4',5,7-trihydroxy-3'-methoxyflavone (CHEBI:16514)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
Synonyms  Source
5,7,4'-Trihydroxy-3'-methoxyflavoneKEGG COMPOUND
3'-O-MethylluteolinKEGG COMPOUND
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-oneChEBI
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyroneChEBI
ChrysoeriolKEGG COMPOUND
3'-MethoxyapigeninChemIDplus
Manual XrefsDatabases
C04293KEGG COMPOUND
574-TRIHYDROXY-3-METHOXYFLAVONEMetaCyc
LMPK12110799LIPID MAPS
C00001029KNApSAcK
Registry NumbersSources
Reaxys:295004Reaxys
CAS:491-71-4ChemIDplus
CAS:491-71-4KEGG COMPOUND
Citations