| Phytochemical Name : Kadsurin |
| PCNDIDK0006 |
| Pubchem CID : 171064 |
| Molecular formula: C25H30O8 |
| Canonical SMILES : CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC(=O)C)OCO4)OC)OC)OC)OC |
Synonymes : Kadsurin|Ananolignan A|51670-40-7|CHEBI:67453|[(9R,10R,11R)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] acetate|3,4,5,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-ol|[tetramethoxy(dimethyl)[?]yl] acetate|Kadsurin, (-)-|CHEMBL559796|DTXSID80199608|AC-31926|MS-28385|XK178297|HY-121271|CS-0081345|Q15426250|Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-8-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, acetate, stereoisomer (VAN) |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.700 |
| Log Po/w (XLOGP3) : 4.590 |
| Log Po/w (WLOGP) : 4.220 |
| Log Po/w (MLOGP) : 2.330 |
| Log Po/w (SILICOS-IT) : 4.500 |
| Consensus Log Po/w : 3.870 |