| Phytochemical Name : Aposcopolamin |
| PCNDIDA0161 |
| Pubchem CID : 4486617 |
| Molecular formula: C17H19NO3 |
| Canonical SMILES : CN1C2CC(CC1C3C2O3)OC(=O)C(=C)C4=CC=CC=C4 |
Synonymes : Apohyoscine|535-26-2|Aposcopolamin|NoName_4268|DTXSID10903573|Benzeneacetic acid, .alpha.-methylene-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester|Benzeneacetic acid, .alpha.-methylene-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-|AKOS026750735|FT-0662254|Q15410270|9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-phenylprop-2-enoate|(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylprop-2-enoate|1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, atropate (ester)|9-methyl-3-oxa-9-azatricyclo[3.3.1.0?,?]nonan-7-yl 2-phenylprop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.760 |
| Log Po/w (XLOGP3) : 2.260 |
| Log Po/w (WLOGP) : 1.470 |
| Log Po/w (MLOGP) : 1.930 |
| Log Po/w (SILICOS-IT) : 2.120 |
| Consensus Log Po/w : 2.110 |