| Phytochemical Name : Pellitorine |
| PCNDIDP0040 |
| Pubchem CID : 5318516 |
| Molecular formula: C14H25NO |
| Canonical SMILES : CCCCCC=CC=CC(=O)NCC(C)C |
Synonymes : Pellitorine|18836-52-7|Pellitorin|trans-Pellitorin|(E,E)-N-Isobutyl-2,4-decadienamide|(E,E)-N-(2-Methylpropyl)-2,4-decadienamide|(2E,4E)-N-(2-Methylpropyl)-2,4-decadienamide|(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide|N-Isobutyldeca-trans-2,trans-4-dienamide|CHEBI:69686|2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-|2,4-DECADIENAMIDE, N-ISOBUTYL-, (E,E)-|2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-|BRN 1725967|AI3-19560|UNII-8IS5231171|(2E,4E)-N-isobutyldeca-2,4-dienamide|8IS5231171|4-04-00-00636 (Beilstein Handbook Reference)|Pellitorine (6CI)|N-(2-Methylpropyl)-2,4-Decadienamide|trans-Pellitorin; trans-Pellitorine|Optaflow A|trans-Pellitorine|N-Isobutyldeca-trans-2-trans-4-dienamide|PELLITORINE [MI]|D0ZH9W|SCHEMBL258097|SCHEMBL258098|CHEMBL271242|MEGxp0_000048|FEMA NO. 4148|2,4-Decadienamide, N-isobutyl-|DTXSID301019978|HY-N3097|isobutyl (E,E)-2,4-decadienamide|BDBM50479137|HB4019|AKOS028109310|2E,4E-decadienoic acid-N-isobutylamide|LS-59229|MS-23255|CS-0023218|N-ISOBUTYL (E,E)-2,4-DECADIENAMIDE|F82123|A1-06834|J-012138|N-ISOBUTYL-2,4-DECADIENAMIDE, TRANS,TRANS-|Q27138027|METHYLPROPYL)-2,4-DECADIENAMIDE, (E,E)-N-(2-|(2E,4E)-N-(2-methyl-propyl)-deca-2,4-dienoic acid amide|NCGC00385817-01!(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.610 |
| Log Po/w (XLOGP3) : 4.390 |
| Log Po/w (WLOGP) : 3.450 |
| Log Po/w (MLOGP) : 3.080 |
| Log Po/w (SILICOS-IT) : 3.670 |
| Consensus Log Po/w : 3.640 |