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CHEBI:9429 - tectorigenin

ChEBI IDCHEBI:9429
ChEBI Nametectorigenin
Stars
DefinitionA methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively.
Last Modified25 June 2015
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
InChIKeyOBBCRPUNCUPUOS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bassia scoparia (ncbitaxon:83154) - PubMed (24380276)
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
tectorigenin (CHEBI:9429) has functional parent isoflavone (CHEBI:18220)
tectorigenin (CHEBI:9429) has role anti-inflammatory agent (CHEBI:67079)
tectorigenin (CHEBI:9429) has role plant metabolite (CHEBI:76924)
tectorigenin (CHEBI:9429) is a 7-hydroxyisoflavones (CHEBI:55465)
tectorigenin (CHEBI:9429) is a methoxyisoflavone (CHEBI:38756)
Incoming Relation(s)
7-O-methyltectorigenin (CHEBI:70033) has functional parent tectorigenin (CHEBI:9429)
tectoridin (CHEBI:9428) has functional parent tectorigenin (CHEBI:9429)
IUPAC Name 
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Synonym  Source
5,7,4'-trihydroxy-6-methoxyisoflavoneChEBI
Manual XrefsDatabases
C10534KEGG COMPOUND
C00002577KNApSAcK
LMPK12050385LIPID MAPS
HMDB0042024HMDB
TectorigeninWikipedia
Registry NumbersSources
Reaxys:305601Reaxys
CAS:548-77-6KEGG COMPOUND
CAS:548-77-6ChemIDplus
Citations