CHEBI:3908 - coumestrol

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ChEBI Name coumestrol
ChEBI ID CHEBI:3908
Definition A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H8O5
Net Charge 0
Average Mass 268.22100
Monoisotopic Mass 268.037
InChI InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey ZZIALNLLNHEQPJ-UHFFFAOYSA-N
SMILES Oc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing coumestrol (CHEBI:3908) has functional parent coumestan (CHEBI:72578)
coumestrol (CHEBI:3908) has role anti-inflammatory agent (CHEBI:67079)
coumestrol (CHEBI:3908) has role antioxidant (CHEBI:22586)
coumestrol (CHEBI:3908) has role plant metabolite (CHEBI:76924)
coumestrol (CHEBI:3908) is a δ-lactone (CHEBI:18946)
coumestrol (CHEBI:3908) is a coumestans (CHEBI:72577)
coumestrol (CHEBI:3908) is a polyphenol (CHEBI:26195)
Incoming coumestrol diacetate (CHEBI:79614) has functional parent coumestrol (CHEBI:3908)
IUPAC Name
3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Synonyms Sources
3,9-dihydroxycoumestan ChEBI
Chrysanthin HMDB
Coumestrol KEGG COMPOUND
Database Links Databases
C00002514 KNApSAcK
C10205 KEGG COMPOUND
Coumestrol Wikipedia
CPD-11779 MetaCyc
HMDB0002326 HMDB
LMPK12090018 LIPID MAPS
LSM-4202 LINCS
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Registry Numbers Types Sources
266702 Reaxys Registry Number Reaxys
479-13-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22644850 PubMed citation Europe PMC
22694330 PubMed citation Europe PMC
22824334 PubMed citation Europe PMC
22926873 PubMed citation Europe PMC
23348407 PubMed citation Europe PMC
Last Modified
25 February 2016