| Phytochemical Name : Xanthoplanine |
| PCNDIDX0006 |
| Pubchem CID : 14262868 |
| Molecular formula: C21H26NO4+ |
| Canonical SMILES : C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC)C |
Synonymes : Xanthoplanine|6872-88-4|(+)-Xanthoplanine|CHEMBL112640|N-methyllaurotetanine methiodide|CHEMBL1180065|CHEBI:175585|DTXSID201317557|(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-9-ol|HY-N1064|BDBM50209213|AKOS032962359|CS-0016349|(4-BROMO-2,6-DIFLUOROPHENYL)-1,1,2,3,3,3-HEXAFLUOROPROPYLETHER|(S)-9-Hydroxy-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium; iodide |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -0.190 |
| 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 : 1.020 |