| Phytochemical Name : Elymoclavine |
| PCNDIDE0018 |
| Pubchem CID : 440904 |
| Molecular formula: C16H18N2O |
| Canonical SMILES : CN1CC(=CC2C1CC3=CNC4=CC=CC2=C34)CO |
Synonymes : ELYMOCLAVINE|548-43-6|Elymoclavin|8,9-Didehydro-6-methylergoline-8-methanol|UNII-5LR46DLO0D|5LR46DLO0D|EINECS 208-948-9|NSC 109431|BRN 0030650|Elimoclavin|4-23-00-02716 (Beilstein Handbook Reference)|((6aR,10aR)-7-Methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methanol|[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol|Spectrum5_001634|NSC-109431|ELYMOCLAVINE [MI]|SCHEMBL183704|SPECTRUM1800052|CHEBI:4777|CHEMBL3706997|DTXSID70970145|C06068|Methanol, (8,9-didehydro-6-methylergolin-8-yl)-|Q5368476|[(2R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0?,?.0??,??]hexadeca-1(16),3,9,12,14-pentaen-4-yl]methanol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.170 |
| Log Po/w (XLOGP3) : 1.300 |
| Log Po/w (WLOGP) : 1.660 |
| Log Po/w (MLOGP) : 1.910 |
| Log Po/w (SILICOS-IT) : 2.600 |
| Consensus Log Po/w : 1.930 |