| Phytochemical Name : CID 182341 |
| PCNDIDC0145 |
| Pubchem CID : 182341 |
| Molecular formula: C21H22O5 |
| Canonical SMILES : CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC5=C(C=C4)OCO5 |
Synonymes : isofutoquinol A|62499-70-1|(2R,6S,7S,8R)-7-(1,3-benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-prop-2-enyltricyclo[4.2.0.02,8]oct-3-en-5-one|DTXSID90978087|E88892|7-(2H-1,3-Benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-(prop-2-en-1-yl)tricyclo[4.2.0.0~2,8~]oct-3-en-5-one|Tricyclo(4.2.0.02,8)oct-3-en-5-one, 7-(1,3-benzodioxol-5-yl)-2,3-dimethoxy-8-methyl-6-(2-propenyl)-, (1S,2S,6R,7R,8S)- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.370 |
| Log Po/w (XLOGP3) : 2.460 |
| Log Po/w (WLOGP) : 3.210 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 4.190 |
| Consensus Log Po/w : 3.060 |