| Phytochemical Name : rel-(3S,3aR,6S,6aS)-3,6-Bis(4-hydroxy-3-methoxyphenyl)tetrahydrofuro[3,4-c]furan-1(3H)-one |
| PCNDIDR0007 |
| Pubchem CID : 44578390 |
| Molecular formula: C20H20O7 |
| Canonical SMILES : COC1=C(C=CC(=C1)C2C3COC(C3C(=O)O2)C4=CC(=C(C=C4)O)OC)O |
Synonymes : rel-(3S,3aR,6S,6aS)-3,6-Bis(4-hydroxy-3-methoxyphenyl)tetrahydrofuro[3,4-c]furan-1(3H)-one|92216-41-6|Balanophonin B|4-Ketopinoresinol|CHEMBL479035 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.890 |
| Log Po/w (XLOGP3) : 2.030 |
| Log Po/w (WLOGP) : 2.070 |
| Log Po/w (MLOGP) : 1.100 |
| Log Po/w (SILICOS-IT) : 2.350 |
| Consensus Log Po/w : 2.090 |