| Phytochemical Name : Futoquinol |
| PCNDIDF0059 |
| Pubchem CID : 5281817 |
| Molecular formula: C21H22O5 |
| Canonical SMILES : CC(=CC1=CC2=C(C=C1)OCO2)C3(C=C(C(=O)C=C3OC)CC=C)OC |
Synonymes : Futoquinol|28178-92-9|CHEBI:5203|CHEMBL498296|C10574|4-[(E)-1-(1,3-benzodioxol-5-yl)prop-1-en-2-yl]-4,5-dimethoxy-2-prop-2-enylcyclohexa-2,5-dien-1-one|2,5-Cyclohexadien-1-one, 4-(2-(1,3-benzodioxol-5-yl)-1-methylethenyl)-4,5-dimethoxy-2-(2-propenyl)-, (E)-|AC1NQZ5C|DTXSID001110595|HY-N3915|AKOS032949021|CS-0024449|E88888|Q27106691|(E)-2-Allyl-4-(2-(1,3-benzodioxol-5-yl)-1-methylvinyl)-4,5-dimethoxy-2,5-cyclohexadien-1-one|2-Allyl-4-[(E)-2-(1,3-benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one #|4-[(1E)-2-(1,3-Benzodioxol-5-yl)-1-methylethenyl]-4,5-dimethoxy-2-(2-propen-1-yl)-2,5-cyclohexadien-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.290 |
| Log Po/w (XLOGP3) : 3.860 |
| Log Po/w (WLOGP) : 3.710 |
| Log Po/w (MLOGP) : 1.910 |
| Log Po/w (SILICOS-IT) : 4.450 |
| Consensus Log Po/w : 3.450 |