Showing entry for Juglone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001991
Compound NameJuglone
Structure
FormulaC10H6O3
InchiKeyKQPYUDDGWXQXHS-UHFFFAOYSA-N
SMILESOC1=CC=CC2=C1C(=O)C=CC2=O
InchiInChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
IUPAC5-hydroxy-1,4-dihydronaphthalene-1,4-dione
Molecular Weight174.15
Pubchem Id3806
Chembl IdCHEMBL43612
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 JUG
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
Q5G940 BXGT015383 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ unreviewed fabZ - 6800 - - -
Q66GI4 BXGT016171 Proteinaceous RNase P 1, chloroplastic/mitochondrial reviewed PRORP1 - - - - -
Binding DB 24777
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 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - 1000 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 1710 - -
reviewed BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed PIN1 - 10120 - -
reviewed BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B - 1980 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 12400 - -
reviewed BXGT009271 Dual specificity protein phosphatase 1 reviewed Dusp1 - 13000 - -
CHEMBL CHEMBL43612
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
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 1000 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 39810 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 1000 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 1000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '=' 12400 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 10000 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 50118 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 3162 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 66 %
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 3162 nM
Q9BEG3 BXGT020092 5-lipoxygenase unreviewed - IC50 '=' 17000 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 4466 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 4466 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 3 /M/s
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 12589 nM
O75604 BXGT005139 Ubiquitin carboxyl-terminal hydrolase 2 reviewed Enzyme USP2 Potency '=' 12589 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 5623 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 3162 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 3162 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 10000 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 22387 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 22387 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 39810 nM
P29466 BXGT009349 Caspase-1 reviewed Enzyme CASP1 Potency '=' 19952 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 354 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 4466 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
Q9UGP5 BXGT021689 DNA polymerase lambda reviewed Enzyme POLL Inhibition - - -
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 631 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 7943 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 2667 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 10000 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 2238 nM
P00772 BXGT005648 Chymotrypsin-like elastase family member 1 reviewed - CELA1 Activity - - -
P08419 BXGT006770 Chymotrypsin-like elastase family member 2A reviewed - CELA2A Activity - - -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Inhibition - - -
P30305 BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B IC50 '=' 1980 nM
P28563 BXGT009271 Dual specificity protein phosphatase 1 reviewed - Dusp1 IC50 '=' 13000 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 6309 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 8912 nM
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 MIC '=' 5000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 93 %
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 IC50 '=' 10810 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency '=' 3162 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 794 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 1995 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 3539 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 1122 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 1122 nM
P00784 BXGT005655 Papain reviewed - Inhibition '=' 60 %
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 7943 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 IC50 '=' 10120 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 1778 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 39810 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 316 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 1995 nM
P02340 BXGT005875 Cellular tumor antigen p53 reviewed - Tp53 Inhibition - - -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 31622 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 7079 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 25118 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 25118 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 IC50 '=' 5900 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 3162 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 Potency '=' 1000 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 3 /M/s
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 7079 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 7079 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 8912 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 5610 nM
P40763 BXGT010202 Signal transducer and activator of transcription 3 reviewed Nucleic acid binding STAT3 Inhibition '=' 76 %
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 5 /M/s
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Inhibition '=' 44 %
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 IC50 '=' 10030 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00094 Common walnut Juglans regia Nuts
BXGF00291 Butternut Juglans cinerea Nuts
BXGF00573 Liquor Beverages
BXGF00821 Nuts Nuts
BXGF03492 Speranskia tuberculata Speranskia tuberculata Others
BXGF04463 Platycarya strobilacea Platycarya strobilacea Medicinal Plant
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