| Phytochemical Name : (13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol |
| PCNDIDOT0074 |
| Pubchem CID : 59819 |
| Molecular formula: C20H24NO4+ |
| Canonical SMILES : C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC |
Synonymes : Phellodendrine|6873-13-8|(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol|MFCD11656144|s9172|CCG-267948 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.010 |
| Log Po/w (XLOGP3) : 2.600 |
| Log Po/w (WLOGP) : 2.060 |
| Log Po/w (MLOGP) : -1.710 |
| Log Po/w (SILICOS-IT) : 0.310 |
| Consensus Log Po/w : 0.450 |