| ID | 2853 |
| Name | Ocoteine |
| Pubchem ID | 52499 |
| KEGG ID | N/A |
| Source | Cassytha filiformis |
| Type | Natural |
| Function | Adrenergic alpha-blocker |
| Drug Like Properties | Yes |
| Molecular Weight | 369.41 |
| Exact mass | 369.157623 |
| Molecular formula | C21H23NO5 |
| XlogP | 3.2 |
| Topological Polar Surface Area | 49.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 3 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=C(C3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3)OC |
| Isomeric SMILE | CN1CCC2=C(C3=C(C4=C2[C@@H]1CC5=CC(=C(C=C54)OC)OC)OCO3)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |