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CHEBI:70033 - 7-O-methyltectorigenin

ChEBI IDCHEBI:70033
ChEBI Name7-O-methyltectorigenin
Stars
ASCII Name7-O-methyltectorigenin
DefinitionA methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.
Last Modified2 April 2018
DownloadsMolfile
FormulaC17H14O6
Net Charge0
Average Mass314.293
Monoisotopic Mass314.07904
SMILESCOc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC
InChIInChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
InChIKeyJDKYUORVNMYEIK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Crotalaria lachnophora (IPNI:488342-1) whole plant (BTO:0001461) PubMed (21265557) Chloroform soluble fraction of CH2Cl2/MeOH (1:1) crude extract of dried and powdered whole plant
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
7-O-methyltectorigenin (CHEBI:70033) has functional parent tectorigenin (CHEBI:9429)
7-O-methyltectorigenin (CHEBI:70033) has role plant metabolite (CHEBI:76924)
7-O-methyltectorigenin (CHEBI:70033) is a 7-methoxyisoflavones (CHEBI:140356)
7-O-methyltectorigenin (CHEBI:70033) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name 
5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
Synonyms  Source
5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-oneChEBI
4',5-dihydroxy-6,7-dimethoxyisoflavoneChEBI
Manual XrefsDatabases
LMPK12050388LIPID MAPS
Registry NumbersSources
Reaxys:1296649Reaxys
CAS:1096-58-8ChemIDplus
Citations