| Phytochemical Name : Lupulone |
| PCNDIDL0103 |
| Pubchem CID : 68051 |
| Molecular formula: C26H38O4 |
| Canonical SMILES : CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
Synonymes : Lupulone|Lupulon|468-28-0|beta-Lupulic acid|beta-Bitter acid|B'' -Acid|Lupolon|B-Lupulic acid|EINECS 207-405-3|.beta.-Bitter acid|.beta.-Lupulic acid|2,4-Cyclohexadien-1-one, 3,5-dihydroxy-4-isovaleryl-2,6,6-tris(3-methyl-2-butenyl)-|3,5-Dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one|UNII-B7425USG94|3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one|CHEBI:6574|2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-|B7425USG94|3,5-Dihydroxy-2,6,6-tris(3-methylbuten-2-yl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one|3,5-Dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(3-methyl-1-oxobutyl)-2,4-cyclohexadien-1-one|hop beta-acid|LUPULON [MI]|3,5-dihydroxy-2-(3-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one|SCHEMBL819253|CHEMBL480267|SCHEMBL2431439|GTPL12445|DTXSID00875553|AKOS015896772|AKOS040744749|2,4-Cyclohexadien-1-one, 3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(3-methyl-1-oxobutyl)-|3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohexa-2,4-dien-1-one|LS-88211|HY-124923|CS-0089577|FT-0650864|Q27107249|Q55939056|3,5-dihydroxy-2,6,6-tris(3-methylbut-2-enyl)-4-(3-methylbutanoyl)cyclohexa-2,4-dienone|3,5-Dihydroxy-4,4,6-tris(3-methyl-2-butenyl)-2-isovaleryl-2,5-cyclohexadien-1-one|4,6,6-Triprenyl-2-(1-oxo-3-methylbutyl)-3,5-dihydroxy-2,4-cyclohexadiene-1-one|3,5-Dihydroxy-4-(3-methylbutanoyl)-2,6,6-tris(3-methyl-2-butenyl)-2,4-cyclohexadien-1-one # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.350 |
| Log Po/w (XLOGP3) : 6.730 |
| Log Po/w (WLOGP) : 6.860 |
| Log Po/w (MLOGP) : 2.940 |
| Log Po/w (SILICOS-IT) : 6.560 |
| Consensus Log Po/w : 5.490 |