| Phytochemical Name : 18-Carbomethoxy-12,13-dimethoxyibogamine |
| PCNDIDOT0406 |
| Pubchem CID : 65572 |
| Molecular formula: C23H30N2O4 |
| Canonical SMILES : CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC)C(=O)OC |
Synonymes : Conopharyngine|Conopharyngine (iboga)|18-Carbomethoxy-12,13-dimethoxyibogamine|76-98-2|BRN 0060123|4-25-00-01286 (Beilstein Handbook Reference)|methyl (1S,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate|Ibogamine-18-carboxylic acid, 12,13-dimethoxy-, methyl ester|DTXSID90997354|LS-54779 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.810 |
| Log Po/w (XLOGP3) : 3.480 |
| Log Po/w (WLOGP) : 2.890 |
| Log Po/w (MLOGP) : 2.370 |
| Log Po/w (SILICOS-IT) : 3.860 |
| Consensus Log Po/w : 3.280 |