| ID | 2762 |
| Name | Neferine |
| Pubchem ID | 159654 |
| KEGG ID | N/A |
| Source | Nelumbo nucifera |
| Type | Natural |
| Function | Hypotensive |
| Drug Like Properties | No |
| Molecular Weight | 624.77 |
| Exact mass | 624.319937 |
| Molecular formula | C38H44N2O6 |
| XlogP | 6.7 |
| Topological Polar Surface Area | 72.9 |
| H-Bond Donor | 1 |
| H-Bond Acceptor | 8 |
| Rotational Bond Count | 10 |
| IUPAC Name | 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| Isomeric SMILE | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |