| Phytochemical Name : Kadsurin A |
| PCNDIDK0007 |
| Pubchem CID : 442885 |
| Molecular formula: C21H24O6 |
| Canonical SMILES : CC1C(OC2(C1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC4=C(C=C3)OCO4 |
Synonymes : Kadsurin A|99340-07-5|CHEMBL37432|CHEBI:6098|C10640|(2S,3R,3aS,7aR)-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one|AC1L9DKW|DTXSID50331992|ZINC04098815|AKOS032948266|NCGC00347709-02|XK178298|NP-013719|Q27107067|(2S,3R,3aS,7aR)-5-allyl-2-(1,3-benzodioxol-5-yl)-3a,7a-dimethoxy-3-methyl-3,7-dihydro-2H-benzofuran-6-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.600 |
| Log Po/w (XLOGP3) : 2.460 |
| Log Po/w (WLOGP) : 3.000 |
| Log Po/w (MLOGP) : 1.660 |
| Log Po/w (SILICOS-IT) : 3.810 |
| Consensus Log Po/w : 2.910 |