| Phytochemical Name : Allixin |
| PCNDIDA0056 |
| Pubchem CID : 86374 |
| Molecular formula: C12H18O4 |
| Canonical SMILES : CCCCCC1=C(C(=O)C(=C(O1)C)OC)O |
Synonymes : Allixin|125263-70-9|3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one|5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one|3-Hydroxy-6-methyl-5-methoxy-2-pentyl-4H-pyran-4-one|UNII-851A356OPF|4H-Pyran-4-one, 3-hydroxy-5-methoxy-6-methyl-2-pentyl-|851A356OPF|LS-127455|starbld0002421|SCHEMBL1229111|DTXSID00154719|CHEBI:172466|EX-A5173|A934068|3-Hydroxy-5-methoxy-6-methyl-2-pentyl-pyran-4-one|Q4732945|3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one, 9CI |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.000 |
| Log Po/w (XLOGP3) : 2.780 |
| Log Po/w (WLOGP) : 2.400 |
| Log Po/w (MLOGP) : 0.460 |
| Log Po/w (SILICOS-IT) : 3.240 |
| Consensus Log Po/w : 2.380 |