EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3908 - coumestrol
| Formula | C15H8O5 |
| Net Charge | 0 |
| Average Mass | 268.224 |
| Monoisotopic Mass | 268.03717 |
| SMILES | O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| 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) |
| 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 coumestans (CHEBI:72577) |
| coumestrol (CHEBI:3908) is a polyphenol (CHEBI:26195) |
| coumestrol (CHEBI:3908) is a δ-lactone (CHEBI:18946) |
| Incoming Relation(s) |
| coumestrol diacetate (CHEBI:79614) has functional parent coumestrol (CHEBI:3908) |
| isosojagol (CHEBI:142265) has functional parent coumestrol (CHEBI:3908) |
| IUPAC Name |
|---|
| 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
| Synonyms | Source |
|---|---|
| Coumestrol | KEGG COMPOUND |
| 3,9-dihydroxycoumestan | ChEBI |
| Chrysanthin | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C10205 | KEGG COMPOUND |
| CPD-11779 | MetaCyc |
| LMPK12090018 | LIPID MAPS |
| Coumestrol | Wikipedia |
| HMDB0002326 | HMDB |
| C00002514 | KNApSAcK |
| LSM-4202 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:266702 | Reaxys |
| CAS:479-13-0 | KEGG COMPOUND |
| CAS:479-13-0 | ChemIDplus |
| Citations |
|---|