| ID | 1135 |
| Name | Allocryptopine |
| Pubchem ID | 98570 |
| KEGG ID | C02134 |
| Source | Zanthoxylum integrifolium |
| Type | Natural |
| Function | Oxytocic agent |
| Drug Like Properties | Yes |
| Molecular Weight | 369.41 |
| Exact mass | 369.157623 |
| Molecular formula | C21H23NO5 |
| XlogP | 2.9 |
| Topological Polar Surface Area | 57.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 2 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Liu,J.Chin.Chem.Soc.,(Taipei),47,(2000),571 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |