| Phytochemical Name : (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine |
| PCNDIDOT0122 |
| Pubchem CID : 165871 |
| Molecular formula: C31H36N4O2 |
| Canonical SMILES : COC1=CC2=C(C=C1)NC3=C2CCNC3CC4CC5C6=C(CCN5CC4C=C)C7=C(N6)C=CC(=C7)OC |
Synonymes : Cinchophyllamine|3-beta,17-beta-Cinchophylline|10438-16-1|(2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine|17-Norcorynan, 18,19-didehydro-10-methoxy-16-(2,3,4,9-tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-yl)-, (3-beta,16(R))-|(3beta)-18,19-Didehydro-10-methoxy-16-[(R)-2,3,4,9-tetrahydro-6-methoxy-1H-pyrido[3,4-b]indol-1-yl]-17-|C31-H36-N4-O2|DTXSID90908945|LS-97269|3-ethenyl-9-methoxy-2-[(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.230 |
| Log Po/w (XLOGP3) : 4.870 |
| Log Po/w (WLOGP) : 4.250 |
| Log Po/w (MLOGP) : 3.040 |
| Log Po/w (SILICOS-IT) : 5.880 |
| Consensus Log Po/w : 4.460 |