Showing entry for Shogaol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021248
Compound NameShogaol
Structure
FormulaC17H24O3
InchiKeyOQWKEEOHDMUXEO-BQYQJAHWSA-N
SMILESCCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O
InchiInChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
IUPAC(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
Molecular Weight276.17
Pubchem Id5281794
Chembl IdCHEMBL25948
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL25948
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 EC50 '=' 320 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Efficacy '=' 79 %
P09960 BXGT006952 Leukotriene A-4 hydrolase reviewed - LTA4H IC50 '=' 12540 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 83300 nM
P09960 BXGT006952 Leukotriene A-4 hydrolase reviewed - LTA4H IC50 '=' 24610 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 77700 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 - - -
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 IC50 '=' 7400 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '>' 100000 nM
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Activity - - -
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 Efficacy '=' 91 %
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 IC50 '=' 290 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 20700 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 IC50 '=' 18800 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 EC50 '=' 16000 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 IC50 '=' 16700 nM
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Activity '>' 50 %
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A Ki '=' 18020 nM
P10632 BXGT007592 Cytochrome P450 2C8 reviewed - CYP2C8 IC50 '=' 2900 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 10 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 - - -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Inhibition '=' 9 %
P06276 BXGT006430 Cholinesterase reviewed - BCHE Inhibition '=' 6 %
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 IC50 '=' 99600 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition '=' 28 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 '=' 3300 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 65200 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 8300 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 2500 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 4000 nM
P05181 BXGT006337 Cytochrome P450 2E1 reviewed - CYP2E1 IC50 '=' 76100 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '=' 87000 nM
P20813 BXGT008603 Cytochrome P450 2B6 reviewed - CYP2B6 IC50 '=' 5800 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 '=' 29200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF01382 Zingiber aromaticum Zingiber aromaticum Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
BXGF05330 Arum ternatum thunb Arum ternatum thunb Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease