| ID | 1725 |
| Name | Cephaelin |
| Pubchem ID | 442195 |
| KEGG ID | C09390 |
| Source | Dorstenia contrajerva |
| Type | Natural |
| Function | Protein synthesis inhibitor |
| Drug Like Properties | Yes |
| Molecular Weight | 466.61 |
| Exact mass | 466.283158 |
| Molecular formula | C28H38N2O4 |
| XlogP | 4.4 |
| Topological Polar Surface Area | 63.2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 6 |
| Rotational Bond Count | 6 |
| IUPAC Name | (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC |
| Isomeric SMILE | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC |
| Drugpedia | wiki |
| References | 1. Franke,Phytochem.,56,(2001),611 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |