| ID | 2006 |
| Name | Demecolcine |
| Pubchem ID | 2832 |
| KEGG ID | C11250 |
| Source | Andocymbium palaestinum |
| 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. Tojo,J.Nat.Prod.,52,(1989),1163 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |