| Phytochemical Name : Voacristine |
| PCNDIDV0041 |
| Pubchem CID : 196982 |
| Molecular formula: C22H28N2O4 |
| Canonical SMILES : CC(C1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC)O |
Synonymes : Voacristine|Voacangarine|545-84-6|NSC 306219|Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (20S)-|methyl (1S,15R,17S,18S)-17-[(1S)-1-hydroxyethyl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate|LS-77567 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.260 |
| Log Po/w (XLOGP3) : 2.360 |
| Log Po/w (WLOGP) : 1.850 |
| Log Po/w (MLOGP) : 1.880 |
| Log Po/w (SILICOS-IT) : 3.010 |
| Consensus Log Po/w : 2.470 |