| Phytochemical Name : Alstonerin |
| PCNDIDA0112 |
| Pubchem CID : 598350 |
| Molecular formula: C21H24N2O2 |
| Canonical SMILES : CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=CC=CC=C5N4C |
Synonymes : Alstonerin|Alstonerine|Alstophyllan-19-one|Alstophylline, demethoxy-|Alstophyllan-19-one, (all-.xi.)-|1-(3,20-Dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl)ethanone|Ethanone, 1-(1,4a,5,6,7,12,13,13a-octahydro-7,14-dimethyl-6,13-iminopyrano[3',4':5,6]cyclooct[1,2-b]indol-4-yl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.920 |
| Log Po/w (XLOGP3) : 2.160 |
| Log Po/w (WLOGP) : 2.510 |
| Log Po/w (MLOGP) : 2.150 |
| Log Po/w (SILICOS-IT) : 2.490 |
| Consensus Log Po/w : 2.450 |