| Phytochemical Name : 1,3-Benzenediol, 5-(7-((2E)-3,7-dimethyl-2,6-octadienyl)-6-methoxy-2-benzofuranyl)- |
| PCNDIDOT0334 |
| Pubchem CID : 6440635 |
| Molecular formula: C25H28O4 |
| Canonical SMILES : CC(=CCCC(=CCC1=C(C=CC2=C1OC(=C2)C3=CC(=CC(=C3)O)O)OC)C)C |
Synonymes : 79295-49-1|Mulberrofuran B|1,3-Benzenediol, 5-(7-((2E)-3,7-dimethyl-2,6-octadienyl)-6-methoxy-2-benzofuranyl)-|5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol|1,3-Benzenediol,5-[7-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-6-methoxy-2-benzofuranyl]-|CHEMBL461067 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.180 |
| Log Po/w (XLOGP3) : 7.030 |
| Log Po/w (WLOGP) : 6.750 |
| Log Po/w (MLOGP) : 3.580 |
| Log Po/w (SILICOS-IT) : 6.340 |
| Consensus Log Po/w : 5.580 |