| ID | 2183 |
| Name | Gigantine |
| Pubchem ID | 442237 |
| KEGG ID | C09445 |
| Source | Carnegiea gigantea |
| Type | Natural |
| Function | Hallucinogenic |
| Drug Like Properties | Yes |
| Molecular Weight | 237.29 |
| Exact mass | 237.136493 |
| Molecular formula | C13H19NO3 |
| XlogP | 1.8 |
| Topological Polar Surface Area | 41.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 4 |
| Rotational Bond Count | 2 |
| IUPAC Name | (1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC1C2=CC(=C(C(=C2CCN1C)O)OC)OC |
| Isomeric SMILE | C[C@H]1C2=CC(=C(C(=C2CCN1C)O)OC)OC |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |