| Phytochemical Name : Akuammidine |
| PCNDIDA0043 |
| Pubchem CID : 15558574 |
| Molecular formula: C21H24N2O3 |
| Canonical SMILES : CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC |
Synonymes : Akuammidine|Rhazin|639-36-1|Sarpagan-16-carboxylic acid, 17-hydroxy-, methyl ester|UNII-R0Q989C5D1|R0Q989C5D1|(+)-Akuammidine|DTXSID201318274|HY-N7437|AKOS040761328|CS-0128944|methyl (1S,12S,13S,14S,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.780 |
| Log Po/w (XLOGP3) : 1.510 |
| Log Po/w (WLOGP) : 1.860 |
| Log Po/w (MLOGP) : 2.130 |
| Log Po/w (SILICOS-IT) : 3.090 |
| Consensus Log Po/w : 2.270 |