Showing entry for 1,4-Benzoquinone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003456
Compound Name1,4-Benzoquinone
Structure
FormulaC6H4O2
InchiKeyAZQWKYJCGOJGHM-UHFFFAOYSA-N
SMILESO=C1C=CC(=O)C=C1
InchiInChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPACcyclohexa-2,5-diene-1,4-dione
Molecular Weight108.09
Pubchem Id4650
Chembl IdCHEMBL8320
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 PLQ
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
P0A8G6 BXGT007145 NAD(P)H dehydrogenase (quinone) reviewed wrbA - - - - -
C5GC63 BXGT023814 Aspartate-semialdehyde dehydrogenase unreviewed BDCG_01946 - - - - -
J7HDY4 BXGT003738 Beta-fructofuranosidase unreviewed INV - - - - -
Binding DB 22774
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
reviewed BXGT005640 Coagulation factor XII reviewed Enzyme F12 >100000 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 >100000 - - -
reviewed BXGT007803 Liver carboxylesterase 1 reviewed - >100000 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE 955 - - -
reviewed BXGT006430 Cholinesterase reviewed BCHE 2050 - - -
reviewed BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - - - -
reviewed BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G - 36100 - -
reviewed BXGT008531 Carbon monoxide dehydrogenase small chain reviewed coxS - - 47600 -
reviewed BXGT009349 Caspase-1 reviewed Enzyme CASP1 - 3000 - -
reviewed BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B - >50000 - -
reviewed BXGT009271 Dual specificity protein phosphatase 1 reviewed Dusp1 - >50000 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - >50000 - -
CHEMBL CHEMBL8320
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
O43175 BXGT004575 D-3-phosphoglycerate dehydrogenase reviewed Enzyme PHGDH Inhibition '=' 100 %
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 50118 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 42561 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 891 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 35481 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 1 nM
Q99549 BXGT019932 M-phase phosphoprotein 8 reviewed Epigenetic regulator MPHOSPH8 Potency - 50118 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 39810 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 89125 nM
P00469 BXGT005550 Thymidylate synthase reviewed - thyA Substrate '=' 10 uM
P00469 BXGT005550 Thymidylate synthase reviewed - thyA Substrate '=' 0 uM
P06276 BXGT006430 Cholinesterase reviewed - BCHE Ki '=' 2050 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 12995 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 17782 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 17782 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 11 /M/s
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 25118 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 5972 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 39810 nM
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 25118 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 39810 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '>' 50000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 25118 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 IC50 '=' 3000 nM
P00469 BXGT005550 Thymidylate synthase reviewed - thyA k_obs '=' 0 s-1
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 12 /M/s
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 151 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 20300 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '>' 100000 nM
P00469 BXGT005550 Thymidylate synthase reviewed - thyA k2 '=' 6700 M-1
P00469 BXGT005550 Thymidylate synthase reviewed - thyA k_obs '=' 0 s-1
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 22387 nM
P12337 BXGT007803 Liver carboxylesterase 1 reviewed - Ki '>' 100000 nM
P30305 BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B IC50 '>' 50000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '>' 100000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
P00469 BXGT005550 Thymidylate synthase reviewed - thyA k_obs '=' 0 s-1
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 50118 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 56234 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 31622 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '=' 955 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 562 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 11 %
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G IC50 '=' 36100 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 10000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 47307 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 39810 nM
P28563 BXGT009271 Dual specificity protein phosphatase 1 reviewed - Dusp1 IC50 '>' 50000 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 31622 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 26603 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 10000 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 7079 nM
Q00987 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 IC50 '=' 13900 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 100 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 17 /M/s
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 Activity - - -
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Inhibition - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 0 %
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 562 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA IC50 '=' 4820 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 9620 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition '=' 47 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition '=' 0 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB IC50 '=' 10200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00121 Olive Olea europaea Vegetables
BXGF00137 Anise Pimpinella anisum Herbs and Spices
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