| Phytochemical Name : alpha-Sanshool |
| PCNDIDA0103 |
| Pubchem CID : 6440935 |
| Molecular formula: C16H25NO |
| Canonical SMILES : CC=CC=CC=CCCC=CC(=O)NCC(C)C |
Synonymes : alpha-Sanshool|Sanshool|504-97-2|(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide|YB7LBG97PX|Echinacein|(E,E,Z,E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide|(2E,6Z,8E,10E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamide|2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,E)-|Echinaceine|Neoherculine|alpha-Sanshooel|UNII-YB7LBG97PX|SCHEMBL1030320|CHEBI:80920|DTXSID601319143|HY-N2527|AKOS040744365|CS-0022798|C17091|EN300-21953183|Q2839529|N-(2-Methylpropyl)-2E,6Z,8E,10E-dodecatetraenamide|2E,6Z,8E,10E-Dodecatetraenoic acid N-(2-methylpropyl)amide|N-Isobutyl-trans-2,cis-6,trans-8,trans-10-dodecatetraenamide|2,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (2E,6Z,8E,10E)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.680 |
| Log Po/w (XLOGP3) : 4.210 |
| Log Po/w (WLOGP) : 3.780 |
| Log Po/w (MLOGP) : 3.410 |
| Log Po/w (SILICOS-IT) : 4.190 |
| Consensus Log Po/w : 3.850 |