| ID | 1854 |
| Name | Colchicine |
| Pubchem ID | 6167 |
| KEGG ID | D00570 |
| Source | Colchicum brachyphyllum |
| Type | Natural |
| Function | Antirheumatic |
| Drug Like Properties | Yes |
| Molecular Weight | 399.44 |
| Exact mass | 399.168188 |
| Molecular formula | C22H25NO6 |
| XlogP | 1 |
| Topological Polar Surface Area | 83.1 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 5 |
| IUPAC Name | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Isomeric SMILE | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 1865 |
| Name | Colchicine |
| Pubchem ID | 6167 |
| KEGG ID | D00570 |
| Source | Colchicum brachyphyllum |
| Type | Natural |
| Function | Anti-inflammatory |
| Drug Like Properties | Yes |
| Molecular Weight | 399.44 |
| Exact mass | 399.168188 |
| Molecular formula | C22H25NO6 |
| XlogP | 1 |
| Topological Polar Surface Area | 83.1 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 5 |
| IUPAC Name | N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Isomeric SMILE | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |
| ID | 2007 |
| Name | Demecolcine |
| Pubchem ID | 2832 |
| KEGG ID | C11250 |
| Source | Colchicum brachyphyllum |
| Type | Natural |
| Function | Antineoplastic |
| Drug Like Properties | Yes |
| Molecular Weight | 371.43 |
| Exact mass | 371.173273 |
| Molecular formula | C21H25NO5 |
| XlogP | 1.4 |
| Topological Polar Surface Area | 66 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 5 |
| IUPAC Name | 1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Kaufman,Synthesis,(2005),339 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |