| Phytochemical Name : Stephanine |
| PCNDIDS0155 |
| Pubchem CID : 160501 |
| Molecular formula: C19H19NO3 |
| Canonical SMILES : CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC=C5OC)OCO3 |
Synonymes : Stephanine|517-63-5|CHEMBL601020|(12R)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene|DTXSID90965972|BDBM50306887|AKOS040762374|(-)-Stephanine; (R)-(-)-Stephanine; 8-Methoxy-1,2-(methylenedioxy)-6a-aporphine; Stephanin; l-Stephanine|5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9-methoxy-7-methyl-, (R)-|9-Methoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.350 |
| Log Po/w (XLOGP3) : 3.270 |
| Log Po/w (WLOGP) : 2.470 |
| Log Po/w (MLOGP) : 2.720 |
| Log Po/w (SILICOS-IT) : 3.760 |
| Consensus Log Po/w : 3.110 |