| Phytochemical Name : Clarkeanidine |
| PCNDIDC0200 |
| Pubchem CID : 127376 |
| Molecular formula: C19H21NO4 |
| Canonical SMILES : COC1=C(C2=C(CCN3C2CC4=C(C3)C(=C(C=C4)OC)O)C=C1)O |
Synonymes : Clarkeanidine|99615-99-3|(13aS)-2,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-1,9-diol|DTXSID60912594|2,10-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-1,9-diol|6H-Dibenzo(a,g)quinolizine-1,9-diol, 5,8,13,13a-tetrahydro-2,10-dimethoxy-, (S)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.110 |
| Log Po/w (XLOGP3) : 2.590 |
| Log Po/w (WLOGP) : 1.910 |
| Log Po/w (MLOGP) : 1.750 |
| Log Po/w (SILICOS-IT) : 2.680 |
| Consensus Log Po/w : 2.410 |