| Phytochemical Name : Oxynarcotine |
| PCNDIDO0050 |
| Pubchem CID : 5320347 |
| Molecular formula: C22H25NO8 |
| Canonical SMILES : CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
Synonymes : Oxynarcotine|2,3-dimethoxy-6-[2-[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]benzoic acid|483-89-6|Nornarceine|SCHEMBL11790808|DTXSID301117483|2,3-dimethoxy-6-(2-{4-methoxy-6-[2-(methylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)benzoic acid |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.180 |
| Log Po/w (XLOGP3) : 0.010 |
| Log Po/w (WLOGP) : 2.330 |
| Log Po/w (MLOGP) : 0.840 |
| Log Po/w (SILICOS-IT) : 3.820 |
| Consensus Log Po/w : 2.030 |