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CHEBI:490095 - esculetin
| Formula | C9H6O4 |
| Net Charge | 0 |
| Average Mass | 178.143 |
| Monoisotopic Mass | 178.02661 |
| SMILES | O=c1ccc2cc(O)c(O)cc2o1 |
| InChI | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
| InChIKey | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Roles: | ultraviolet filter A photochemical role realized in the absorption of ultraviolet light, for example to protect skin cells from damage. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| esculetin (CHEBI:490095) has role antioxidant (CHEBI:22586) |
| esculetin (CHEBI:490095) has role plant metabolite (CHEBI:76924) |
| esculetin (CHEBI:490095) has role ultraviolet filter (CHEBI:73335) |
| esculetin (CHEBI:490095) is a hydroxycoumarin (CHEBI:37912) |
| Incoming Relation(s) |
| 2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91203) has functional parent esculetin (CHEBI:490095) |
| 2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one (CHEBI:91204) has functional parent esculetin (CHEBI:490095) |
| 8-geranylesculetin (CHEBI:134359) has functional parent esculetin (CHEBI:490095) |
| esculin (CHEBI:4853) has functional parent esculetin (CHEBI:490095) |
| isoscopoletin (CHEBI:81484) has functional parent esculetin (CHEBI:490095) |
| scoparone (CHEBI:9055) has functional parent esculetin (CHEBI:490095) |
| IUPAC Name |
|---|
| 6,7-dihydroxy-2H-chromen-2-one |
| Synonyms | Source |
|---|---|
| 6,7-dihydroxy-2H-1-benzopyran-2-one | ChemIDplus |
| 6,7-dihydroxycoumarin | ChemIDplus |
| aesculetin | ChEBI |
| Aesculetin | KEGG COMPOUND |
| cichorigenin | ChEBI |
| cichoriin aglucon | ChemIDplus |
| UniProt Name | Source |
|---|---|
| esculetin | UniProt |
| Citations |
|---|