| Phytochemical Name : Chanoclavine |
| PCNDIDC0098 |
| Pubchem CID : 5281381 |
| Molecular formula: C16H20N2O |
| Canonical SMILES : CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)CO |
Synonymes : CHANOCLAVINE|Chanoclavin-I|Chanoclavine-I|Isochanoclavin|2390-99-0|UNII-32X6F73RE2|32X6F73RE2|Secaclavin|Secaclavine|Chanoclavine I|6,7-Secoergoline-8-methanol, 8,9-didehydro-6-methyl-, (E)-|(2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol|(R,R)-Chanoclavine|CHANOCLAVINE [MI]|(-)-CHANOCLAVINE I|CHEBI:3576|DTXSID50893242|(E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol|2-Propen-1-ol, 2-methyl-3-[1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-, [4R-[4.alpha.,5.beta.(E)]]-|C09131|Q15410883|(E)-8,9-didehydro-6-methyl-6,7-secoergoline-8-methanol|(2E)-2-Methyl-3-[(4R,5R)-1,3,4,5-tetrahydro-4-(methylamino)benz[cd]indol-5-yl]-2-propen-1-ol|2-PROPEN-1-OL, 2-METHYL-3-((4R,5R)-1,3,4,5-TETRAHYDRO-4-(METHYLAMINO)BENZ(CD)INDOL-5-YL)-, (2E)-|2-Propen-1-ol, 2-methyl-3-(1,3,4,5-tetrahydro-4-(methylamino)benz(cd)indol-5-yl)-, (4R-(4alpha,5beta(E)))- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.360 |
| Log Po/w (XLOGP3) : 2.190 |
| Log Po/w (WLOGP) : 2.330 |
| Log Po/w (MLOGP) : 1.910 |
| Log Po/w (SILICOS-IT) : 3.130 |
| Consensus Log Po/w : 2.390 |