| Phytochemical Name : Voacangine |
| PCNDIDV0040 |
| Pubchem CID : 73255 |
| Molecular formula: C22H28N2O3 |
| Canonical SMILES : CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
Synonymes : Voacangine|Carbomethoxyibogaine|510-22-5|(-)-Voacangine|CHEMBL182120|12-Methoxyibogamine-18-carboxylic acid methyl ester|methyl (1S,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate|9SY76D3YUK|C22H28N2O3|methyl ethyl(methoxy)[?]carboxylate|Methyl 12-methoxyibogamine-18-carboxylate|D00AJB|UNII-9SY76D3YUK|Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester|DTXSID50965276|CHEBI:141966|BDBM50329104|methyl (6xi)-12-methoxy-2alpha-ibogamine-18-carboxylate|Methyl (1S)-3,13-diaza-17-ethyl-7-methoxypentacyclo[13.3.1.0<2,10>.0<4,9>.0<13,18>]nonadeca-2(10),4,6,8-tetraenecarboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.630 |
| Log Po/w (XLOGP3) : 3.510 |
| Log Po/w (WLOGP) : 2.880 |
| Log Po/w (MLOGP) : 2.700 |
| Log Po/w (SILICOS-IT) : 3.790 |
| Consensus Log Po/w : 3.300 |