| Phytochemical Name : Penniclavine |
| PCNDIDP0042 |
| Pubchem CID : 115247 |
| Molecular formula: C16H18N2O2 |
| Canonical SMILES : CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)(CO)O |
Synonymes : Penniclavine|Penniclavin|519-13-1|UNII-28Z5OY3SFA|28Z5OY3SFA|9,10-Didehydro-8-hydroxy-6-methylergoline-8beta-methanol|Ergoline-8beta-methanol, 9,10-didehydro-8-hydroxy-6-methyl-|DTXSID301020153|J13.978E|Q15633929|9,10-DIDEHYDRO-8.ALPHA.-HYDROXY-6-METHYLERGOLINE-8-METHANOL|Ergoline-8-methanol, 9,10-didehydro-8-hydroxy-6-methyl-, (8alpha)-|ERGOLINE-8.BETA.-METHANOL, 9,10-DIDEHYDRO-8-HYDROXY-6-METHYL-|(6aR,9S)-9-(hydroxymethyl)-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-ol|ERGOLINE-8-METHANOL, 9,10-DIDEHYDRO-8-HYDROXY-6-METHYL-, (8.ALPHA.)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 1.070 |
| Log Po/w (WLOGP) : 0.760 |
| Log Po/w (MLOGP) : 1.060 |
| Log Po/w (SILICOS-IT) : 2.080 |
| Consensus Log Po/w : 1.440 |