| Phytochemical Name : Coixenolide |
| PCNDIDC0218 |
| Pubchem CID : 46173943 |
| Molecular formula: C38H70O4 |
| Canonical SMILES : CCCCCCC=CCCCCCCCCCC(=O)OC(C)C(C)OC(=O)CCCCCCCC=CCCCCCC |
Synonymes : Coixenolide|CHEBI:81189|DTXSID801126081|C17566|Q27155135|rel-(1R,2S)-1-Methyl-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl (11E)-11-octadecenoate|(11E)-11-Octadecenoic acid (1S,2R)-1-methyl-2-[[(9Z)-1-oxo-9-hexadecenyl]oxy]propyl ester|29066-43-1 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 8.800 |
| Log Po/w (XLOGP3) : 14.740 |
| Log Po/w (WLOGP) : 12.140 |
| Log Po/w (MLOGP) : 7.450 |
| Log Po/w (SILICOS-IT) : 13.550 |
| Consensus Log Po/w : 11.340 |