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CHEBI:142265 - isosojagol

ChEBI IDCHEBI:142265
ChEBI Nameisosojagol
Stars
DefinitionA member of the class of coumestans that is coumestrol with a prenyl substituent at position 10.
Last Modified28 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCC(C)=CCc1c(O)ccc2c1oc1c3ccc(O)cc3oc(=O)c21
InChIInChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3
InChIKeyMQKLGUOASGICKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phaseolus coccineus (ncbitaxon:3886) whole plant (BTO:0001461) Article (O'Neill, M.J., Adesanya, S.A. and Roberts, M.F. (1984) Isosojagol, a coumestan from Phaseolus coccineus. Phytochemistry, 23(11), 2704-2705.)
Erythrina abyssinica (ncbitaxon:1237573) bark (BTO:0001301) PubMed (20337486) Isolated from stem bark
Glycyrrhiza inflata (ncbitaxon:74614) root (BTO:0001188) PubMed (28835349)
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)
isosojagol (CHEBI:142265) has functional parent coumestrol (CHEBI:3908)
isosojagol (CHEBI:142265) has role plant metabolite (CHEBI:76924)
isosojagol (CHEBI:142265) is a coumestans (CHEBI:72577)
isosojagol (CHEBI:142265) is a olefinic compound (CHEBI:78840)
isosojagol (CHEBI:142265) is a organic heterotetracyclic compound (CHEBI:38163)
isosojagol (CHEBI:142265) is a polyphenol (CHEBI:26195)
isosojagol (CHEBI:142265) is a δ-lactone (CHEBI:18946)
IUPAC Name 
3,9-dihydroxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one
Synonyms  Source
3,9-dihydroxy-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-oneHMDB
3,9-dihydroxy-10-prenylcoumestanHMDB
3,9-dihydroxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-oneChEBI
Manual XrefsDatabases
HMDB0030141HMDB
C00010050KNApSAcK
FDB001947FooDB
LMPK12090009LIPID MAPS
Registry NumbersSources
Reaxys:6743158Reaxys
CAS:94390-15-5ChemIDplus
CAS:94390-15-5KNApSAcK
Citations