| Phytochemical Name : Nootkatin |
| PCNDIDN0076 |
| Pubchem CID : 238797 |
| Molecular formula: C15H20O2 |
| Canonical SMILES : CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O |
Synonymes : Nootkatin|NSC43339|4431-03-2|MLS002608535|NSC 43339|2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethyl)-|NSC 403527|CHEMBL1700891|SCHEMBL13311346|DTXSID10196125|HMS3091E24|NSC-43339|NSC403527|NSC-403527|SMR001527282|Q67880029|2-hydroxy-4-isopropyl-5-(3-methylbut-2-enyl)cyclohepta-2,4,6-trien-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.050 |
| Log Po/w (XLOGP3) : 3.600 |
| Log Po/w (WLOGP) : 3.380 |
| Log Po/w (MLOGP) : 2.590 |
| Log Po/w (SILICOS-IT) : 4.090 |
| Consensus Log Po/w : 3.340 |