| Phytochemical Name : Ibogaine |
| PCNDIDI0001 |
| Pubchem CID : 197060 |
| Molecular formula: C20H26N2O |
| Canonical SMILES : CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC |
Synonymes : IBOGAINE|Endabuse|12-Methoxyibogamine|Ibogain|(-)-Ibogaine|83-74-9|Tabernanthe iboga|Ibogamine, 12-methoxy-|NIH 10567|EINECS 201-498-4|NSC 249764|(5beta)-12-methoxyibogamine|DEA No. 7260|CHEMBL1215855|UNII-3S814I130U|HSDB 8180|3S814I130U|NIH-10567|7-Ethyl-6,6beta,7,8,9,10,12,13-octahydro-2-methoxy-6,9-methano-5H-pyrido(1',2':1,2)azepino(5,4-b)indole|CHEBI:5852|NSC-249764|12-methoxyibogamin|HJM|IBOGAINE [MI]|IBOGAINE [VANDF]|IBOGAINE [MART.]|IBOGAINE [WHO-DD]|(18R)-12-methoxyibogamine|SCHEMBL113571|DTXSID20894069|BDBM50308247|LS-77571|Q409455|(1R,15R,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 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.270 |
| Log Po/w (XLOGP3) : 3.920 |
| Log Po/w (WLOGP) : 3.560 |
| Log Po/w (MLOGP) : 3.210 |
| Log Po/w (SILICOS-IT) : 3.850 |
| Consensus Log Po/w : 3.560 |