| ID | 1150 |
| Name | Ancistrocladine |
| Pubchem ID | 161741 |
| KEGG ID | C09335 |
| Source | Ancistrocladus abbreviatus |
| Type | Natural |
| Function | Antimalarial |
| Drug Like Properties | Yes |
| Molecular Weight | 407.50 |
| Exact mass | 407.209658 |
| Molecular formula | C25H29NO4 |
| XlogP | 5 |
| Topological Polar Surface Area | 60 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 4 |
| IUPAC Name | (1S,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC1CC2=C(C(=CC(=C2C(N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC |
| Isomeric SMILE | C[C@H]1CC2=C(C(=CC(=C2[C@@H](N1)C)OC)O)C3=C4C=CC=C(C4=C(C=C3C)OC)OC |
| Drugpedia | wiki |
| References | 1. Bringmann,Phytochem.,31,(1992),4011 2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 3. Source 4. Function 5. All Records |