| ID | 3381 |
| Name | Thalcimine |
| Pubchem ID | 362568 |
| KEGG ID | C09661 |
| Source | Thalictrum rugosum |
| Type | Natural |
| Function | Anticancer |
| Drug Like Properties | No |
| Molecular Weight | 636.73 |
| Exact mass | 636.283552 |
| Molecular formula | C38H40N2O7 |
| XlogP | 5.8 |
| Topological Polar Surface Area | 80.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 9 |
| Rotational Bond Count | 5 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5 |
| Isomeric SMILE | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NCCC7=CC(=C(C=C76)OC3=C(C(=C2OC)OC)OC)OC)C=C5 |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |