| ID | 2938 |
| Name | Pilocercine |
| Pubchem ID | 228285 |
| KEGG ID | C09609 |
| Source | Pilocereus sargentianus |
| Type | Natural |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 744.01 |
| Exact mass | 743.487337 |
| Molecular formula | C45H65N3O6 |
| XlogP | 9.3 |
| Topological Polar Surface Area | 76.1 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 9 |
| Rotational Bond Count | 13 |
| IUPAC Name | 6-methoxy-8-[[6-methoxy-8-[[6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C |
| Isomeric SMILE | N/A |
| Drugpedia | wiki |
| References | 1. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21 2. Source 3. Function 4. All Records |