| Phytochemical Name : Stepharanine |
| PCNDIDS0156 |
| Pubchem CID : 10358881 |
| Molecular formula: C19H18NO4+ |
| Canonical SMILES : COC1=C(C=C2C(=C1)CC[N+]3=C2C=C4C=CC(=C(C4=C3)OC)O)O |
Synonymes : stepharanine|CHEMBL251229|17369-30-1|Stepharanin|CHEBI:132718|DTXSID501317825|BDBM50226662|3,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2,10-diol|2,10-dihydroxy-3,9-dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.530 |
| Log Po/w (XLOGP3) : 3.100 |
| Log Po/w (WLOGP) : 2.780 |
| Log Po/w (MLOGP) : 1.560 |
| Log Po/w (SILICOS-IT) : 2.900 |
| Consensus Log Po/w : 1.960 |