| ID | 3428 |
| Name | Thiodemecolcine |
| Pubchem ID | 312287 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | Yes |
| Molecular Weight | 387.49 |
| Exact mass | 387.150429 |
| Molecular formula | C21H25NO4S |
| XlogP | 1.9 |
| Topological Polar Surface Area | 56.8 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 5 |
| IUPAC Name | (7S)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-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)SC)OC)OC)OC |
| Isomeric SMILE | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |