| Phytochemical Name : Magnocurarine |
| PCNDIDM0007 |
| Pubchem CID : 53266 |
| Molecular formula: C19H24NO3+ |
| Canonical SMILES : C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)C |
Synonymes : Magnocurarine|6801-40-7|(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol|CHEBI:80846|SDCCGMLS-0066966.P001|CHEMBL1187634|DTXSID10218199|HY-N6609|AKOS015897149|CS-0034355|C16991|D85081|Q27151342|Isoquinolinium, 1,2,3,4-tetrahydro-7-hydroxy-1-((4-hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-, (R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.750 |
| Log Po/w (XLOGP3) : 3.060 |
| Log Po/w (WLOGP) : 2.320 |
| Log Po/w (MLOGP) : -1.370 |
| Log Po/w (SILICOS-IT) : 0.500 |
| Consensus Log Po/w : 0.750 |