| Phytochemical Name : 2-(1,7-Dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| PCNDIDOT0448 |
| Pubchem CID : 372976 |
| Molecular formula: C20H28O8 |
| Canonical SMILES : CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O |
Synonymes : Lobetyolin|2-(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol|CID 53486204|(2R,3R,4S,5S,6R)-2-(((4E,12E)-1,7-Dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.400 |
| Log Po/w (XLOGP3) : -0.560 |
| Log Po/w (WLOGP) : -1.400 |
| Log Po/w (MLOGP) : -0.920 |
| Log Po/w (SILICOS-IT) : 0.700 |
| Consensus Log Po/w : 0.040 |