| Phytochemical Name : (3r)-8-[(2r,3s)-3-Heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol |
| PCNDIDOT0158 |
| Pubchem CID : 126312 |
| Molecular formula: C17H24O2 |
| Canonical SMILES : CCCCCCCC1C(O1)CC#CC#CC(C=C)O |
Synonymes : Panaxydol|72800-72-7|(3r)-8-[(2r,3s)-3-heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol|(3R)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-en-4,6-diyn-3-ol|(3R, 9R, 10S)-panaxydol|CHEBI:66723|DTXSID40993604|HY-N1456|AKOS040760615|CS-0016902|1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-|8-(3-Heptyloxiran-2-yl)oct-1-ene-4,6-diyn-3-ol|Q27135345 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.160 |
| Log Po/w (XLOGP3) : 4.480 |
| Log Po/w (WLOGP) : 3.220 |
| Log Po/w (MLOGP) : 3.030 |
| Log Po/w (SILICOS-IT) : 4.790 |
| Consensus Log Po/w : 3.930 |