| Phytochemical Name : Serpentine |
| PCNDIDS0085 |
| Pubchem CID : 73391 |
| Molecular formula: C21H21N2O3+ |
| Canonical SMILES : CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4 |
Synonymes : 18786-24-8|C21H21N2O3.Cl|C21-H21-N2-O3.Cl|55322-91-3|serpentine(1+)|Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19.alpha.)-|CHEMBL3559488|DTXSID40940259|CHEBI:142531|AKOS032962081|3,4,5,6,16,17-Hexadehydro-16-(methoxycarbonyl)-19alpha-methyloxayohimbanium |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.710 |
| Log Po/w (XLOGP3) : 3.080 |
| Log Po/w (WLOGP) : 2.870 |
| Log Po/w (MLOGP) : 2.210 |
| Log Po/w (SILICOS-IT) : 3.000 |
| Consensus Log Po/w : 2.090 |