| Phytochemical Name : (6As)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium |
| PCNDIDOT0190 |
| Pubchem CID : 161487 |
| Molecular formula: C21H26NO4+ |
| Canonical SMILES : C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C |
Synonymes : Menisperine|Chackranine|25342-82-9|(6as)-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolinium|NIOSH/FL6698000|FL66980000|Isocorydine methochloride|(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol|CHEMBL1186240|DTXSID70948187|AKOS040735203|NCI60_042007|11-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium|4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-11-hydroxy-1,2,10-trimethoxy-6,6-dimethyl-, (S)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : -0.590 |
| Log Po/w (XLOGP3) : 3.060 |
| Log Po/w (WLOGP) : 2.610 |
| Log Po/w (MLOGP) : -1.480 |
| Log Po/w (SILICOS-IT) : 1.130 |
| Consensus Log Po/w : 0.950 |