| Phytochemical Name : Nepetalactone trans-cis-form |
| PCNDIDN0047 |
| Pubchem CID : 442430 |
| Molecular formula: C10H14O2 |
| Canonical SMILES : CC1CCC2C1C(=O)OC=C2C |
Synonymes : Epinepetalactone|Isonepetalactone|trans,cis-Nepetalactone|E,Z-Nepetalactone|Nepetalactone trans-cis-form|(+)-trans,cis-Nepetalactone|(4As,7S,7aS)-Nepetalactone|17257-15-7|Nepetalactone, (+)-(4aS,7S,7aS)-|UNII-VZ45G6PT5C|VZ45G6PT5C|4a.alpha.,7.alpha.,7a.beta.-Nepetalactone|4aalpha,7alpha,7abeta-Nepetalactone|(+)-(4aS,7S,7aS)-nepetalactone|(4aS,7S,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one|Cyclopenta(c)pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aS,7S,7aS)-|Nepetalactone, 4aa,7a,7ab|CHEBI:7519|SCHEMBL13039924|DTXSID00169348|LMPR0102070014|C09792|Q27107520|(4aalpha,7alpha,7abeta)-5,6,7,7a-tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4aH)-one|(4aS,7S,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.280 |
| Log Po/w (XLOGP3) : 1.910 |
| Log Po/w (WLOGP) : 2.110 |
| Log Po/w (MLOGP) : 2.080 |
| Log Po/w (SILICOS-IT) : 1.930 |
| Consensus Log Po/w : 2.060 |