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CHEBI:16860 - 3',4',5,7-tetrahydroxy-3-methoxyflavone

ChEBI IDCHEBI:16860
ChEBI Name3',4',5,7-tetrahydroxy-3-methoxyflavone
Stars
DefinitionA tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position.
Secondary ChEBI IDsCHEBI:1319, CHEBI:11669, CHEBI:11849, CHEBI:19822
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
InChIKeyWEPBGSIAWZTEJR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ophioglossum pedunculosum (ncbitaxon:60874) whole plant (BTO:0001461) PubMed (21401115) 75% EtOH extract of dried whole plant
Ficus mucuso (ncbitaxon:309328) fruit (BTO:0000486) PubMed (21619045) Methanolic extract of air-dried and powdered figs(fruits)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) has functional parent quercetin (CHEBI:16243)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) has role antimicrobial agent (CHEBI:33281)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) has role metabolite (CHEBI:25212)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) is a monomethoxyflavone (CHEBI:25401)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) is a tetrahydroxyflavone (CHEBI:38684)
3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860) is conjugate acid of 3',4',5-trihydroxy-3-methoxyflavon-7-olate (CHEBI:57928)
Incoming Relation(s)
3-O-methylquercetin 7-O-β-glucopyranosyl-4'-O-β-D-glucopyranoside (CHEBI:67938) has functional parent 3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860)
3',4',5-trihydroxy-3-methoxyflavon-7-olate (CHEBI:57928) is conjugate base of 3',4',5,7-tetrahydroxy-3-methoxyflavone (CHEBI:16860)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one
Synonyms  Source
3',4',5,7-Tetrahydroxy-3-methoxyflavoneKEGG COMPOUND
3-Methoxy-5,7,3',4'-tetrahydroxyflavoneKEGG COMPOUND
3-methoxy-5,7,3',4'-tetrahydroxyflavoneChEBI
3-O-MethylquercetinKEGG COMPOUND
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-oneChemIDplus
Manual XrefsDatabases
C04443KEGG COMPOUND
3457-TETRAHYDROXY-3-METHOXYFLAVONEMetaCyc
C00004632KNApSAcK
Registry NumbersSources
Reaxys:324509Reaxys
CAS:1486-70-0ChemIDplus
Citations