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CHEBI:18010 - 3',4',5-trihydroxy-3,7-dimethoxyflavone

ChEBI IDCHEBI:18010
ChEBI Name3',4',5-trihydroxy-3,7-dimethoxyflavone
Stars
DefinitionA dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin.
Secondary ChEBI IDsCHEBI:1321, CHEBI:11671, CHEBI:11672, CHEBI:19824
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1
InChIInChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
InChIKeyLUJAXSNNYBCFEE-UHFFFAOYSA-N
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.
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor  An EC 1.3.1.* (oxidoreductase acting on CH-CH group of donor, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of of 3-oxo-5α-steroid 4-dehydrogenase (NADP+), EC 1.3.1.22, the enzyme which converts testosterone (CHEBI:17347) into the more potent androgen 5α-dihydrotestosterone.
ChEBI Ontology
Outgoing Relation(s)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) has functional parent quercetin (CHEBI:16243)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) has role EC 1.3.1.22 [3-oxo-5α-steroid 4-dehydrogenase (NADP+)] inhibitor (CHEBI:50781)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) has role metabolite (CHEBI:25212)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) is a dimethoxyflavone (CHEBI:23798)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) is a trihydroxyflavone (CHEBI:27116)
3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010) is conjugate acid of 3',4',5-trihydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77710)
Incoming Relation(s)
3',4',5-trihydroxy-3,7-dimethoxyflavone(1−) (CHEBI:77710) is conjugate base of 3',4',5-trihydroxy-3,7-dimethoxyflavone (CHEBI:18010)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one
Synonyms  Source
3',4',5-Trihydroxy-3,7-dimethoxyflavoneKEGG COMPOUND
3,7-Di-O-methylquercetinKEGG COMPOUND
3,7-O-dimethylquercetinChEBI
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyroneChemIDplus
Manual XrefsDatabases
C01265KEGG COMPOUND
345-TRIHYDROXY-37-DIMETHOXYFLAVONEMetaCyc
C00004638KNApSAcK
Registry NumbersSources
Reaxys:338444Reaxys
CAS:2068-02-2KEGG COMPOUND
CAS:2068-02-2ChemIDplus
Citations