| ID | 3384 |
| Name | Thalicarpine |
| Pubchem ID | 21470 |
| KEGG ID | C09655 |
| Source | Thalictrum dasycarpum |
| Type | Natural |
| Function | Antimicrobial |
| Drug Like Properties | No |
| Molecular Weight | 696.83 |
| Exact mass | 696.341067 |
| Molecular formula | C41H48N2O8 |
| XlogP | 6.7 |
| Topological Polar Surface Area | 80.3 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 10 |
| Rotational Bond Count | 11 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)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 |
| ID | 3393 |
| Name | Thalidasine |
| Pubchem ID | 159795 |
| KEGG ID | C09656 |
| Source | Thalictrum dasycarpum |
| Type | Natural |
| Function | Antimicrobial |
| Drug Like Properties | No |
| Molecular Weight | 652.78 |
| Exact mass | 652.314852 |
| Molecular formula | C39H44N2O7 |
| XlogP | 6.4 |
| Topological Polar Surface Area | 71.1 |
| 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=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |
| ID | 3399 |
| Name | Thalidasine |
| Pubchem ID | 159795 |
| KEGG ID | C09656 |
| Source | Thalictrum dasycarpum |
| Type | Natural |
| Function | Hypotensive |
| Drug Like Properties | No |
| Molecular Weight | 652.78 |
| Exact mass | 652.314852 |
| Molecular formula | C39H44N2O7 |
| XlogP | 6.4 |
| Topological Polar Surface Area | 71.1 |
| 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=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |