| ID | 1591 |
| Name | Boldine |
| Pubchem ID | 10154 |
| KEGG ID | C09365 |
| Source | Sarcocapnos enneaphylla |
| Type | Natural |
| Function | laxative |
| Drug Like Properties | Yes |
| Molecular Weight | 327.37 |
| Exact mass | 327.147058 |
| Molecular formula | C19H21NO4 |
| XlogP | 2.7 |
| Topological Polar Surface Area | 62.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
| Drugpedia | wiki |
| References | 1. Lopez,Phytochem.,30,(1991),1175 2. Tojo,Phytochem.,30,(1991),1005 3. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 4. Source 5. Function 6. All Records |