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CHEBI:28794 - coumarin
| Formula | C9H6O2 |
| Net Charge | 0 |
| Average Mass | 146.145 |
| Monoisotopic Mass | 146.03678 |
| SMILES | O=c1ccc2ccccc2o1 |
| InChI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Eupatorium cannabinum subsp. asiaticum (ncbitaxon:102770) | aerial part (BTO:0001658) | PubMed (21391659) | MeOH extract of shade-dried, pulverized aerial parts |
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| Application: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| coumarin (CHEBI:28794) has role fluorescent dye (CHEBI:51121) |
| coumarin (CHEBI:28794) has role human metabolite (CHEBI:77746) |
| coumarin (CHEBI:28794) has role plant metabolite (CHEBI:76924) |
| coumarin (CHEBI:28794) is a coumarins (CHEBI:23403) |
| Incoming Relation(s) |
| 3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) has functional parent coumarin (CHEBI:28794) |
| 3,4-dihydrocoumarin (CHEBI:16151) has functional parent coumarin (CHEBI:28794) |
| 4-ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin (CHEBI:34403) has functional parent coumarin (CHEBI:28794) |
| 5,6,7-trimethoxycoumarin (CHEBI:28126) has functional parent coumarin (CHEBI:28794) |
| 6,8-difluoro-4-methylumbelliferyl phosphate (CHEBI:133848) has functional parent coumarin (CHEBI:28794) |
| 6,8-difluoro-4-methylumbelliferyl phosphate (2−) (CHEBI:133849) has functional parent coumarin (CHEBI:28794) |
| 7-hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin (CHEBI:79572) has functional parent coumarin (CHEBI:28794) |
| 7-hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one (CHEBI:79571) has functional parent coumarin (CHEBI:28794) |
| 7-methoxycoumarin-4-acetic acid (CHEBI:51666) has functional parent coumarin (CHEBI:28794) |
| daphnoretin (CHEBI:4324) has functional parent coumarin (CHEBI:28794) |
| licoarylcoumarin (CHEBI:69100) has functional parent coumarin (CHEBI:28794) |
| 7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one (CHEBI:141536) is a coumarin (CHEBI:28794) |
| IUPAC Name |
|---|
| 2H-chromen-2-one |
| Synonyms | Source |
|---|---|
| 1,2-Benzopyrone | KEGG COMPOUND |
| 2H-benzo[b]pyran-2-one | NIST Chemistry WebBook |
| 2H-1-Benzopyran-2-one | KEGG COMPOUND |
| 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone | KEGG COMPOUND |
| 2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone | KEGG COMPOUND |
| 5,6-Benzo-2-pyrone | KEGG COMPOUND |
| Brand Name | Source |
|---|---|
| Lodema | ChEMBL |
| UniProt Name | Source |
|---|---|
| coumarin | UniProt |
| Citations |
|---|