| Phytochemical Name : Perilla ketone |
| PCNDIDP0049 |
| Pubchem CID : 68381 |
| Molecular formula: C10H14O2 |
| Canonical SMILES : CC(C)CCC(=O)C1=COC=C1 |
Synonymes : Perilla ketone|553-84-4|1-(furan-3-yl)-4-methylpentan-1-one|perillaketone|beta-Furyl isoamyl ketone|1-Pentanone, 1-(3-furanyl)-4-methyl-|1-(3-Furyl)-4-methyl-1-pentanone|1-(3-Furanyl)-4-methyl-1-pentanone|NSC348407|Purple Mint Plant Isolate|NSC 348407|BRN 0114624|UNII-CV69S6Y94V|1-Pentanone, 1-(3-furyl)-4-methyl-|CHEMBL469753|CV69S6Y94V|NSC-348407|5-17-09-00480 (Beilstein Handbook Reference)|PERILLA KETONE [MI]|SCHEMBL4627614|WLN: T5OJ CV2Y1&1|DTXSID10203828|.BETA.-FURYL ISOAMYL KETONE|HY-N9508|1-furan-3-yl-4-methylpentan-1-one|BDBM50276352|1-(3-furyl)-4-methyl-pentan-1-one|AKOS012403470|MS-22906|NCI60_003097|LS-101972|CS-0182031|EN300-175722|Q7168519|Z1179940260 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.410 |
| Log Po/w (XLOGP3) : 2.760 |
| Log Po/w (WLOGP) : 2.900 |
| Log Po/w (MLOGP) : 1.130 |
| Log Po/w (SILICOS-IT) : 2.750 |
| Consensus Log Po/w : 2.390 |