| Phytochemical Name : Cedrusin |
| PCNDIDC0087 |
| Pubchem CID : 11210164 |
| Molecular formula: C19H22O6 |
| Canonical SMILES : COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O |
Synonymes : Cedrusin|75775-36-9|(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol|MEGxp0_001133|CHEMBL3358859|ACon1_001168|AKOS032962374|NCGC00169612-01|(2S)-2alpha-(3-Methoxy-4-hydroxyphenyl)-5-(3-hydroxypropyl)-7-hydroxy-2,3-dihydrobenzofuran-3beta-methanol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.780 |
| Log Po/w (XLOGP3) : 1.760 |
| Log Po/w (WLOGP) : 1.920 |
| Log Po/w (MLOGP) : 0.940 |
| Log Po/w (SILICOS-IT) : 2.790 |
| Consensus Log Po/w : 2.040 |