| ID | 1099 |
| Name | Alangimarckine |
| Pubchem ID | 442159 |
| KEGG ID | C09328 |
| Source | Alangium lamarckii |
| Type | Natural |
| Function | Anthelmintic |
| Drug Like Properties | Yes |
| Molecular Weight | 475.62 |
| Exact mass | 475.283492 |
| Molecular formula | C29H37N3O3 |
| XlogP | 4.6 |
| Topological Polar Surface Area | 69.8 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 5 |
| Rotational Bond Count | 5 |
| IUPAC Name | (2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-8-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O |
| Isomeric SMILE | CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=CC=CC=C6N5)OC)OC)O |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |