| Phytochemical Name : Kobusin |
| PCNDIDK0029 |
| Pubchem CID : 182278 |
| Molecular formula: C21H22O6 |
| Canonical SMILES : COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC |
Synonymes : kobusin|36150-23-9|(+)-Kobusin|(+)-Demethoxyaschantin|(+)-Spinescin|CUR4HUP6JQ|5-[(3S,3aR,6S,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole|Demethoxyaschantin|(3abeta,6abeta)-1beta-(3,4-Dimethoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan|Methylpiperitol|UNII-CUR4HUP6JQ|(+)-METHYLPIPERITOL|CHEMBL462822|MEGxp0_001295|SCHEMBL17999860|ACon1_001273|DTXSID00189723|CHEBI:133905|HY-N5101|AKOS040760503|NCGC00169511-01|CS-0032366|C17844|1,3-BENZODIOXOLE, 5-((1S,3AR,4S,6AR)-4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-|5-((1S,3AR,4S,6AR)-4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-1,3-BENZODIOXOLE|5-[(1S,3aR,4S,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.670 |
| Log Po/w (XLOGP3) : 2.810 |
| Log Po/w (WLOGP) : 2.860 |
| Log Po/w (MLOGP) : 1.790 |
| Log Po/w (SILICOS-IT) : 3.480 |
| Consensus Log Po/w : 2.920 |