| Phytochemical Name : Coronaridine |
| PCNDIDC0245 |
| Pubchem CID : 73489 |
| Molecular formula: C21H26N2O2 |
| Canonical SMILES : CCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
Synonymes : CORONARIDINE|Coronardine|CHEMBL364613|NSC127490|Ibogamine-18-carboxylic acid, methyl ester|467-77-6|methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate|CHEBI:3887|D04XXE|BDBM50329102|C09139|Q5172181 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.350 |
| Log Po/w (XLOGP3) : 3.540 |
| Log Po/w (WLOGP) : 2.870 |
| Log Po/w (MLOGP) : 3.040 |
| Log Po/w (SILICOS-IT) : 3.740 |
| Consensus Log Po/w : 3.310 |