CHEBI:142265 - isosojagol

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ChEBI Name isosojagol
ChEBI ID CHEBI:142265
Definition A member of the class of coumestans that is coumestrol with a prenyl substituent at position 10.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C20H16O5
Net Charge 0
Average Mass 336.339
Monoisotopic Mass 336.09977
InChI InChI=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
InChIKey MQKLGUOASGICKG-UHFFFAOYSA-N
SMILES CC(C)=CCC1=C(C=CC=2C3=C(C=4C=CC(=CC4OC3=O)O)OC12)O
Metabolite of Species Details
Erythrina abyssinica (NCBI:txid1237573) Found in bark (BTO:0001301). Isolated from stem bark See: PubMed
Phaseolus coccineus (NCBI:txid3886) Found in whole plant (BTO:0001461). See: O'Neill, M.J., Adesanya, S.A. and Roberts, M.F. (1984) Isosojagol, a coumestan from Phaseolus coccineus. Phytochemistry, 23(11), 2704-2705.
Glycyrrhiza inflata (NCBI:txid74614) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing isosojagol (CHEBI:142265) has functional parent coumestrol (CHEBI:3908)
isosojagol (CHEBI:142265) has role plant metabolite (CHEBI:76924)
isosojagol (CHEBI:142265) is a δ-lactone (CHEBI:18946)
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)
IUPAC Name
3,9-dihydroxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one
Synonyms Sources
3,9-dihydroxy-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one HMDB
3,9-dihydroxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one ChEBI
3,9-dihydroxy-10-prenylcoumestan HMDB
Manual Xrefs Databases
C00010050 KNApSAcK
FDB001947 FooDB
HMDB0030141 HMDB
LMPK12090009 LIPID MAPS
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Registry Numbers Types Sources
6743158 Reaxys Registry Number Reaxys
94390-15-5 CAS Registry Number KNApSAcK
94390-15-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20337486 PubMed citation Europe PMC
28835349 PubMed citation Europe PMC
Last Modified
28 September 2018