| Phytochemical Name : Pyrido(3',4':4,5)cyclohept(1,2-b)indol-6(2H)-one, 4-ethylidene-1,3,4,4a,5,7,12,12a-octahydro-2-methyl-, (4E,4aR,12aR)- |
| PCNDIDP0224 |
| Pubchem CID : 6440473 |
| Molecular formula: C19H22N2O |
| Canonical SMILES : CC=C1CN(CC2C1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C |
Synonymes : 72748-32-4|Pyrido(3',4':4,5)cyclohept(1,2-b)indol-6(2H)-one, 4-ethylidene-1,3,4,4a,5,7,12,12a-octahydro-2-methyl-, (4E,4aR,12aR)-|16-epimethuenine|CHEMBL487204 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.710 |
| Log Po/w (XLOGP3) : 2.750 |
| Log Po/w (WLOGP) : 3.040 |
| Log Po/w (MLOGP) : 2.550 |
| Log Po/w (SILICOS-IT) : 3.860 |
| Consensus Log Po/w : 2.980 |