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

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ChEBI Name	3',4',5-trihydroxy-3,6,7-trimethoxyflavone

ChEBI ID	CHEBI:18016

Definition	A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11670, CHEBI:19823, CHEBI:1320

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O8

Net Charge

Average Mass

360.31484

Monoisotopic Mass

360.08452

InChI

InChI=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

InChIKey

BYWLLSQTJBXAPV-UHFFFAOYSA-N

SMILES

COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
3',4',5-Trihydroxy-3,6,7-trimethoxyflavone	KEGG COMPOUND
3',4',5-trihydroxy-3,6,7-trimethoxyflavone	UniProt
Chrysosplenol D	KEGG COMPOUND
quercetagetin 3,6,7-trimethyl ether	ChEBI

Registry Number	Type	Source
350587	Reaxys Registry Number	Reaxys

Last Modified

13 November 2017