| ID | 3408 |
| Name | Thalmidine |
| Pubchem ID | 100230 |
| KEGG ID | C09590 |
| Source | Berberis laurina |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | No |
| Molecular Weight | 622.75 |
| Exact mass | 622.304287 |
| Molecular formula | C38H42N2O6 |
| XlogP | 6.7 |
| Topological Polar Surface Area | 61.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 4 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC3=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |