| ID | 2411 |
| Name | Isocorypalmine |
| Pubchem ID | 440229 |
| KEGG ID | C04118 |
| Source | Zanthoxylum taediosum |
| Type | Natural |
| Function | Smooth muscle relaxant |
| Drug Like Properties | Yes |
| Molecular Weight | 341.40 |
| Exact mass | 341.162708 |
| Molecular formula | C20H23NO4 |
| XlogP | 2.9 |
| Topological Polar Surface Area | 51.2 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 3 |
| IUPAC Name | (13aS)-3,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| Isomeric SMILE | COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)O)C=C1)OC |
| Drugpedia | wiki |
| References | 1. Laguna,CENIC.Cienc.Quim.,30,(1999),92 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |