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CHEBI:27494 - sophoraisoflavanone A

ChEBI IDCHEBI:27494
ChEBI Namesophoraisoflavanone A
Stars
DefinitionA hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy substituent at position 2' and a prenyl group at position 3'.
Secondary ChEBI IDsCHEBI:9197, CHEBI:26722
Last Modified19 October 2021
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCOc1c(C2COc3cc(O)cc(O)c3C2=O)ccc(O)c1CC=C(C)C
InChIInChI=1S/C21H22O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3
InChIKeyAALISTBXLBQUEH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Echinosophora koreensis (ncbitaxon:228658) rhizome (BTO:0001181) PubMed (19557362)
Sophora flavescens (ncbitaxon:49840) - PubMed (34367714)
Bacillus velezensis (ncbitaxon:492670) - PubMed (34250503) Found in cell-free supernatant. Strain: AP203
Morus indica (ncbitaxon:248361) leaf (BTO:0000713) PubMed (31619703)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
cyclooxygenase 1 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
ChEBI Ontology
Outgoing Relation(s)
sophoraisoflavanone A (CHEBI:27494) has role antimicrobial agent (CHEBI:33281)
sophoraisoflavanone A (CHEBI:27494) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
sophoraisoflavanone A (CHEBI:27494) has role plant metabolite (CHEBI:76924)
sophoraisoflavanone A (CHEBI:27494) is a hydroxyisoflavanone (CHEBI:72739)
sophoraisoflavanone A (CHEBI:27494) is a methoxyisoflavanone (CHEBI:72740)
IUPAC Name 
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
Sophoraisoflavanone AKEGG COMPOUND
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-1-benzopyran-4-oneIUPAC
Manual XrefsDatabases
C10530KEGG COMPOUND
LMPK12050480LIPID MAPS
C00002573KNApSAcK
Registry NumbersSources
Reaxys:1667139Reaxys
CAS:69573-59-7KEGG COMPOUND
Citations