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

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

ChEBI ID	CHEBI:16860
ChEBI Name	3',4',5,7-tetrahydroxy-3-methoxyflavone
Stars
Definition	A 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 IDs	CHEBI:1319, CHEBI:11669, CHEBI:11849, CHEBI:19822
Last Modified	28 July 2014
Downloads	Molfile

Formula	C16H12O7
Net Charge	0
Average Mass	316.265
Monoisotopic Mass	316.05830
SMILES	COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O
InChI	InChI=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
InChIKey	WEPBGSIAWZTEJR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Ficus mucuso (ncbitaxon:309328)	fruit (BTO:0000486)	PubMed (21619045)	Methanolic extract of air-dried and powdered figs(fruits)
Ophioglossum pedunculosum (ncbitaxon:60874)	whole plant (BTO:0001461)	PubMed (21401115)	75% EtOH extract of dried whole plant

Roles Classification

Biological Roles:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

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
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one	ChemIDplus
3',4',5,7-Tetrahydroxy-3-methoxyflavone	KEGG COMPOUND
3-methoxy-5,7,3',4'-tetrahydroxyflavone	ChEBI
3-Methoxy-5,7,3',4'-tetrahydroxyflavone	KEGG COMPOUND
3-O-Methylquercetin	KEGG COMPOUND

Manual Xrefs	Databases
3457-TETRAHYDROXY-3-METHOXYFLAVONE	MetaCyc
C00004632	KNApSAcK
C04443	KEGG COMPOUND

Registry Numbers	Sources
Reaxys:324509	Reaxys
CAS:1486-70-0	ChemIDplus

Citations