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

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

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ChEBI ID	CHEBI:16514
ChEBI Name	4',5,7-trihydroxy-3'-methoxyflavone
Stars
Definition	The 3'-O-methyl derivative of luteolin.
Secondary ChEBI IDs	CHEBI:2006, CHEBI:12083, CHEBI:20519
Last Modified	19 July 2022
Downloads	Molfile

Formula	C16H12O6
Net Charge	0
Average Mass	300.266
Monoisotopic Mass	300.06339
SMILES	COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
InChI	InChI=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
InChIKey	SCZVLDHREVKTSH-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
3'-Methoxyapigenin	ChemIDplus
3'-O-Methylluteolin	KEGG COMPOUND
5,7,4'-Trihydroxy-3'-methoxyflavone	KEGG COMPOUND
5,7,4'-Trihydroxy-3'-methoxyflavone	KEGG COMPOUND
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone	ChEBI
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one	ChEBI

Manual Xrefs	Databases
574-TRIHYDROXY-3-METHOXYFLAVONE	MetaCyc
C00001029	KNApSAcK
C04293	KEGG COMPOUND
LMPK12110799	LIPID MAPS

Registry Numbers	Sources
Reaxys:295004	Reaxys
CAS:491-71-4	KEGG COMPOUND
CAS:491-71-4	ChemIDplus

Citations