| Phytochemical Name : Kadsurenin K |
| PCNDIDK0003 |
| Pubchem CID : 3083438 |
| Molecular formula: C20H22O5 |
| Canonical SMILES : CC1C(C2C(=O)C(=CC1(C2=O)OC)CC=C)C3=CC(=C(C=C3)O)OC |
Synonymes : Kadsurenin K|149560-83-8|delta(8')-3,5'-Dimethoxy-4-hydroxy-2',3',4',5'-tetrahydro-2',4'-dioxo-7.3',8.5'-neolignan|(1R,5R,6R,7R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione|Bicyclo(3.2.1)oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1R-(6-endo,7-exo))-|DTXSID30933675|CHEBI:132652|(1R,5R,6R,7R)-7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione|7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-ene-2,8-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.970 |
| Log Po/w (XLOGP3) : 3.040 |
| Log Po/w (WLOGP) : 2.790 |
| Log Po/w (MLOGP) : 1.360 |
| Log Po/w (SILICOS-IT) : 3.550 |
| Consensus Log Po/w : 2.740 |