Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1R,2R,4R,5S,6R,7S)-4-[(benzyloxy)methyl]-3,8-dioxatricyclo[5.1.0.02,4]octane-5,6-diyl diacetate | 5.87% inhibition | Homo sapiens | |
(1S,6S,9R)-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-9-methyl-4-(prop-2-en-1-yl)-7-oxabicyclo[4.2.1]non-4-ene-3,8-dione | 75.56% inhibition | Homo sapiens | |
(2E)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid | 25.86% inhibition | Homo sapiens | |
(2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide | 93.12% inhibition, uncompetitive inhibition | Homo sapiens | |
(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide | 86.54% inhibition, uncompetitive inhibition | Homo sapiens | |
(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide | 52.12% inhibition | Homo sapiens | |
(2E,6E)-7-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide | 88.58% inhibition, uncompetitive inhibition | Homo sapiens | |
(2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4-one | 15.47% inhibition | Homo sapiens | |
(2R,3R,3aS)-2-(4-hydroperoxy-3-methoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one | 86.57% inhibition | Homo sapiens | |
(2R,3R,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane | 15.21% inhibition | Homo sapiens | |
(2R,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane | 7.12% inhibition | Homo sapiens | |
(2S)-5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one | 68.98% inhibition | Homo sapiens | |
(2S,3R,3aR)-2-(4-hydroperoxy-3-methoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one | 76.89% inhibition | Homo sapiens | |
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one | 12.34% inhibition | Homo sapiens | |
2-methoxy-4-[7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl]phenol | 82.46% inhibition | Homo sapiens | |
4-hydroxy-3,5-dimethoxybenzaldehyde | 13.48% inhibition | Homo sapiens | |
4-hydroxy-3-methoxybenzaldehyde | 19.25% inhibition | Homo sapiens | |
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one | 36.86% inhibition | Homo sapiens | |
5,6,7-trihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one | 35.58% inhibition | Homo sapiens | |
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl D-threo-hexopyranosiduronic acid | 75.86% inhibition | Homo sapiens | |
5,7,8-trihydroxy-2-phenyl-4H-1-benzopyran-4-one | 15.96% inhibition | Homo sapiens | |
5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-4H-1-benzopyran-4-one | 65.12% inhibition; 76.33% inhibition | Homo sapiens | |
5,7-dihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one | 34.96% inhibition | Homo sapiens | |
5,7-dihydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one | 34.82% inhibition | Homo sapiens | |
5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one | 24.33% inhibition | Homo sapiens | |
5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one | 75.88% inhibition | Homo sapiens | |
5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one | 20.88% inhibition | Homo sapiens | |
5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one | 20.83% inhibition | Homo sapiens | |
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | 25.64% inhibition | Homo sapiens | |
additional information | phytochemical constituents from Scutellaria baicalensis in soluble epoxide hydrolase inhibition: kinetics and interaction mechanism merged with simulations, overview. Extracts of Scutellaria baicalensis are separated, resulting in the isolation of thirty compounds, including six lignins, sixteen flavones, and five amides. Their structures are determined on the basis of 1H and 13C NMR and MS spectra. Molecular docking studies and inhibition mechanisms of (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide, (2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide, and (2E,6E)-7-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide against sEH | Homo sapiens | |
N-[1-(1-oxopropyl)-4-piperidinyl]-N'-[4-(trifluoromethoxy)phenyl]urea | - |
Homo sapiens |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
cytosol | - |
Homo sapiens | 5829 | - |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P34913 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
SEH | - |
Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00158 | - |
(2E,6E)-7-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide | pH not specified in the publication, 37°C | Homo sapiens | |
0.0029 | - |
(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide | pH not specified in the publication, 37°C | Homo sapiens | |
0.00435 | - |
(2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide | pH not specified in the publication, 37°C | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00606 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide | |
0.00632 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2E,6E)-7-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,6-dienamide | |
0.00783 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide | |
0.02082 | - |
pH not specified in the publication, 37°C | Homo sapiens | 2-methoxy-4-[7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl]phenol | |
0.02616 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2R,3R,3aS)-2-(4-hydroperoxy-3-methoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one | |
0.03389 | - |
pH not specified in the publication, 37°C | Homo sapiens | 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl D-threo-hexopyranosiduronic acid | |
0.03391 | - |
pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-4H-1-benzopyran-4-one | |
0.03764 | - |
pH not specified in the publication, 37°C | Homo sapiens | (1S,6S,9R)-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-9-methyl-4-(prop-2-en-1-yl)-7-oxabicyclo[4.2.1]non-4-ene-3,8-dione | |
0.04482 | - |
pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one | |
0.05661 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2S,3R,3aR)-2-(4-hydroperoxy-3-methoxyphenyl)-3a-methoxy-3-methyl-5-(prop-2-en-1-yl)-3,3a-dihydro-1-benzofuran-6(2H)-one | |
0.07619 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2S)-5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one | |
0.08008 | - |
pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-4H-1-benzopyran-4-one | |
0.09368 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide | |
0.1 | - |
pH not specified in the publication, 37°C | Homo sapiens | (2E)-4-[(2-methylpropyl)amino]-4-oxobut-2-enoic acid | |
0.1 | - |
pH not specified in the publication, 37°C | Homo sapiens | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 4-hydroxy-3-methoxybenzaldehyde | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 4-hydroxy-3,5-dimethoxybenzaldehyde | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | (1R,2R,4R,5S,6R,7S)-4-[(benzyloxy)methyl]-3,8-dioxatricyclo[5.1.0.02,4]octane-5,6-diyl diacetate | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | (2R,3R,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | (2R,3S,4S,5S)-2,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolane | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,6,7-trihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,7,8-trihydroxy-2-phenyl-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-2-(2-hydroxyphenyl)-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-2-(2-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one | |
0.1 | - |
above, pH not specified in the publication, 37°C | Homo sapiens | 5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one |