| ID | 3412 |
| Name | Thalmine |
| Pubchem ID | 442366 |
| KEGG ID | C09659 |
| Source | Thalictrum |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | No |
| Molecular Weight | 608.72 |
| Exact mass | 608.288637 |
| Molecular formula | C37H40N2O6 |
| XlogP | 6.3 |
| Topological Polar Surface Area | 72.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 3 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)O)OC)C=C5)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |