EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:17488 - scopoletin
| Formula | C10H8O4 |
| Net Charge | 0 |
| Average Mass | 192.170 |
| Monoisotopic Mass | 192.04226 |
| SMILES | COc1cc2ccc(=O)oc2cc1O |
| InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| InChIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cupania cinerea (ncbitaxon:298314) | bark (BTO:0001301) | PubMed (21438586) | Crude dichloromethane extract of dried and powdered bark |
| Rhododendron ferrugineum (ncbitaxon:49622) | leaf (BTO:0000713) | PubMed (21443171) | MeOH extract of CHCl3 soluble fraction of air-dried, powdered leaves |
| Rhododendron mucronulatum (ncbitaxon:105903) | stem (BTO:0001300) | PubMed (21443171) |
| Roles Classification |
|---|
| Biological Roles: | plant growth regulator A chemical, natural or artificial, that can affect the rate of growth of a plant. 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) |
| scopoletin (CHEBI:17488) has functional parent umbelliferone (CHEBI:27510) |
| scopoletin (CHEBI:17488) has role plant growth regulator (CHEBI:26155) |
| scopoletin (CHEBI:17488) has role plant metabolite (CHEBI:76924) |
| scopoletin (CHEBI:17488) is a hydroxycoumarin (CHEBI:37912) |
| Incoming Relation(s) |
| guaiacylglycerol β-scopoletinyl ether (CHEBI:91201) has functional parent scopoletin (CHEBI:17488) |
| scopolin (CHEBI:16065) has functional parent scopoletin (CHEBI:17488) |
| IUPAC Name |
|---|
| 7-hydroxy-6-methoxy-2H-chromen-2-one |
| Synonyms | Source |
|---|---|
| 6-Methoxy-7-hydroxycoumarin | ChemIDplus |
| 6-Methylesculetin | ChemIDplus |
| 6-O-Methylesculetin | ChemIDplus |
| 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one | ChemIDplus |
| 7-hydroxy-6-methoxycoumarin | ChEBI |
| Scopoletin | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| scopoletin | UniProt |
| Citations |
|---|