| Phytochemical Name : Himbeline |
| PCNDIDH0036 |
| Pubchem CID : 9797647 |
| Molecular formula: C21H33NO2 |
| Canonical SMILES : CC1CCCC(N1)C=CC2C3CCCCC3CC4C2C(OC4=O)C |
Synonymes : Himbeline|(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-[(E)-2-[(2S,6R)-6-methylpiperidin-2-yl]ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one|518-99-0 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.830 |
| Log Po/w (XLOGP3) : 4.580 |
| Log Po/w (WLOGP) : 3.700 |
| Log Po/w (MLOGP) : 3.980 |
| Log Po/w (SILICOS-IT) : 3.420 |
| Consensus Log Po/w : 3.900 |