| Phytochemical Name : Elaeocarpine |
| PCNDIDE0010 |
| Pubchem CID : 280286 |
| Molecular formula: C16H19NO2 |
| Canonical SMILES : CC1=C2C(=CC=C1)OC3CCN4CCCC4C3C2=O |
Synonymes : Elaeocarpine|30891-89-5|Isoeleocarpine|AT 494|D0Z6DK|DTXSID80953065|AT 495|NSC131811|NSC131813|NSC-131811|NSC-131813|A820732|11-Methyl-1,2,3,5,6,6a,12a,12b-octahydro-12H-[1]benzopyrano[2,3-g]indolizin-12-one|11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one;Tetrabutyl ammonium iodide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.730 |
| Log Po/w (XLOGP3) : 2.560 |
| Log Po/w (WLOGP) : 2.040 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 2.620 |
| Consensus Log Po/w : 2.410 |