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CHEBI:27430 - 7-O-methylluteone

ChEBI IDCHEBI:27430
ChEBI Name7-O-methylluteone
Stars
ASCII Name7-O-methylluteone
DefinitionA hydroxyisoflavone that is luteone in which the hydroxy group at position 7 is replaced by a methoxy group.
Secondary ChEBI IDsCHEBI:2280, CHEBI:12249, CHEBI:20781
Last Modified2 April 2018
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1CC=C(C)C
InChIInChI=1S/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3
InChIKeyAZPLXDBZIQMMMT-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 1.1.1.21 (aldehyde reductase) inhibitor  An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21).
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)
7-O-methylluteone (CHEBI:27430) has functional parent luteone (CHEBI:27917)
7-O-methylluteone (CHEBI:27430) has role EC 1.1.1.21 (aldehyde reductase) inhibitor (CHEBI:48550)
7-O-methylluteone (CHEBI:27430) has role metabolite (CHEBI:25212)
7-O-methylluteone (CHEBI:27430) is a 7-methoxyisoflavones (CHEBI:140356)
7-O-methylluteone (CHEBI:27430) is a hydroxyisoflavone (CHEBI:38755)
7-O-methylluteone (CHEBI:27430) is conjugate acid of 7-O-methylluteone(1−) (CHEBI:77801)
Incoming Relation(s)
7-O-methylluteone(1−) (CHEBI:77801) is conjugate base of 7-O-methylluteone (CHEBI:27430)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Synonyms  Source
7-O-MethylluteoneKEGG COMPOUND
7-O-methylluteoneChEBI
3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-oneChEBI
5,2',4'-trihydroxy-7-methoxy-6-(3-methylbut-2-enyl)isoflavoneChEBI
Manual XrefsDatabases
C07290KEGG COMPOUND
7-O-METHYLLUTEONMetaCyc
7-O-MethylluteoneWikipedia
C00019056KNApSAcK
Registry NumbersSources
Reaxys:4334565Reaxys
CAS:122290-50-0Beilstein
Citations