| ID | 2268 |
| Name | Hernandezine |
| Pubchem ID | 72343 |
| KEGG ID | C09461 |
| Source | Thalictrum glandulosissimum |
| Type | Natural |
| Function | Anti-inflammatory |
| 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(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC |
| Isomeric SMILE | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 3030 |
| Name | Protopine |
| Pubchem ID | 4970 |
| KEGG ID | C05189 |
| Source | Thalictrum glandulosissimum |
| Type | Natural |
| Function | Antibacterial |
| Drug Like Properties | Yes |
| Molecular Weight | 353.37 |
| Exact mass | 353.126323 |
| Molecular formula | C20H19NO5 |
| XlogP | 2.8 |
| Topological Polar Surface Area | 57.2 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 0 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3 |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Wu,Zhongguo Yaoke Daxue Xuebao,23,(1991),177 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |