Chemical Component Summary | |
|---|---|
| Name | COUMARIN |
| Synonyms | 2H-1-BENZOPYRAN-2-ONE |
| Identifiers | chromen-2-one |
| Formula | C9 H6 O2 |
| Molecular Weight | 146.143 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)C=CC(=O)O2 |
| InChI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 11 |
Drug Info: DrugBank
| DrugBank ID | DB04665 |
|---|---|
| Name | Coumarin |
| Groups | experimental |
| Synonyms |
|
| Categories |
|
| CAS number | 91-64-5 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Cytochrome P450 2A6 | MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN... | unknown | |
| Cytochrome P450 2C9 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI... | unknown | substrate |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL6466 |
| PubChem | 323 |
| ChEMBL | CHEMBL6466 |
| ChEBI | CHEBI:28794 |
| CCDC/CSD | COUMAR11, QODPOR, QODPOR01, QODPIL, COUMAR12, COUMAR02, UJUVAY, COUMAR15, COUMAR10, VONPET, DOBJUA, COUMAR13, COUMAR18, WIRXEA, COUMAR14, COUMAR19, COUMAR20, COUMAR22, COUMAR21 |
| COD | 1546043, 1546044, 1546045, 1546046, 1546047, 1546048 |
