Showing entry for Hesperetin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001962
Compound NameHesperetin
Structure
FormulaC16H14O6
InchiKeyAIONOLUJZLIMTK-AWEZNQCLSA-N
SMILESCOC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
InchiInChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
IUPAC(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Molecular Weight302.28
Pubchem Id72281
Chembl IdCHEMBL399121
Targets of Information Source
DrugBank DB01094
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
P35610 BXGT009855 Sterol O-acyltransferase 1 reviewed Enzyme SOAT1 experimental inhibitor
O75908 BXGT005162 Sterol O-acyltransferase 2 reviewed Enzyme SOAT2 experimental inhibitor
P55157 BXGT011108 Microsomal triglyceride transfer protein large subunit reviewed Transporter MTTP experimental antagonist
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG experimental -
PDB 6JP
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
O76290 BXGT005181 Pteridine reductase unreviewed PTR1 - - ~120000 - -
Binding DB 23418
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 BXGT006255 Alpha-amylase 1 reviewed AMY1A - - - -
reviewed BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 - 54600 - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >10000 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 >10000 - - -
reviewed BXGT008802 Carbonic anhydrase 4 reviewed CA4 102 - - -
reviewed BXGT010364 Carbonic anhydrase 7 reviewed CA7 3.3 - - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 454 - - -
reviewed BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 - 2786 - -
reviewed BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 - 511 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 2476100 - -
CHEMBL CHEMBL399121
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
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 '=' 10000 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD FC '=' 1 -
P41145 BXGT010225 Kappa-type opioid receptor reviewed G-protein coupled receptor OPRK1 Ke '>' 10000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 '=' 10000 nM
P45983 BXGT010494 Mitogen-activated protein kinase 8 reviewed Kinase MAPK8 Activity - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki - - -
P37173 BXGT009970 TGF-beta receptor type-2 reviewed Kinase TGFBR2 Inhibition '=' 19 %
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 11220 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 100000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 6309 nM
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA FC '=' 1 -
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 3981 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 34647 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 IC50 - - -
Q9N1N9 BXGT021115 Carboxylic ester hydrolase unreviewed - BCHE IC50 '=' 1774100 nM
Q16665 BXGT013653 Hypoxia-inducible factor 1-alpha reviewed Transcription factor HIF1A Potency '=' 5011 nM
P35372 BXGT009823 Mu-type opioid receptor reviewed G-protein coupled receptor OPRM1 Ke '>' 10000 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 2476100 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 6309 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 7943 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 5623 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 Activity - - -
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 12589 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 '=' 10000 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -4 %
P37173 BXGT009970 TGF-beta receptor type-2 reviewed Kinase TGFBR2 Inhibition '=' 10 %
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 15848 nM
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 IC50 - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 10000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 25118 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD FC '=' 1 -
Q9N1N9 BXGT021115 Carboxylic ester hydrolase unreviewed - BCHE Ki - - -
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Potency '=' 15848 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 '=' 3162 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -8 %
P07265 BXGT006583 Alpha-glucosidase MAL62 reviewed - MAL62 logIC50 '=' 2 -
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 2786 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 2511 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 511 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 Activity '=' 36 %
P41143 BXGT010223 Delta-type opioid receptor reviewed G-protein coupled receptor OPRD1 Ke '>' 10000 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 79432 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity - - -
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 12589 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG FC '=' 1 -
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 113 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 39810 nM
P04745 BXGT006255 Alpha-amylase 1 reviewed - AMY1A Inhibition '=' 39 %
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 Inhibition - - -
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 Kq '=' 0 10'12/M/s
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 Ka '=' 0 10'5/M
P00734 BXGT005630 Prothrombin reviewed Enzyme F2 Inhibition - - -
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA FC '=' 2 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 26608 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 39810 nM
P04745 BXGT006255 Alpha-amylase 1 reviewed - AMY1A IC50 - - -
P37173 BXGT009970 TGF-beta receptor type-2 reviewed Kinase TGFBR2 Activity '=' 19 %
P0C6X7 BXGT007440 Replicase polyprotein 1ab reviewed - rep Kd '=' 24500 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Potency '=' 10000 nM
Q13133 BXGT013315 Oxysterols receptor LXR-alpha reviewed Nuclear receptor NR1H3 Activity - - -
P37173 BXGT009970 TGF-beta receptor type-2 reviewed Kinase TGFBR2 Inhibition - - -
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 5623 nM
O42713 BXGT004563 Polyphenol oxidase 2 reviewed - PPO2 Inhibition '=' 0 %
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 KSV '=' 0 10'5/M
P0C6X7 BXGT007440 Replicase polyprotein 1ab reviewed - rep IC50 '=' 60000 nM
P0C6X7 BXGT007440 Replicase polyprotein 1ab reviewed - rep IC50 '=' 8300 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Activity - - -
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 '=' 5011 nM
P02647 BXGT005908 Apolipoprotein A-I reviewed - APOA1 Activity - - -
O88397 BXGT005271 Solute carrier organic anion transporter family member 1A5 reviewed - Slco1a5 Activity '=' 40 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Potency '=' 5011 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 26900 nM
P37173 BXGT009970 TGF-beta receptor type-2 reviewed Kinase TGFBR2 Activity - - -
P45984 BXGT010495 Mitogen-activated protein kinase 9 reviewed Kinase MAPK9 Activity - - -
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 15101 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 98 %
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 Activity '=' 44 %
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG FC '=' 3 -
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 15848 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 33498 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 454 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 10000 nM
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 102 nM
P43166 BXGT010364 Carbonic anhydrase 7 reviewed - CA7 Ki '=' 3 nM
P27487 BXGT009187 Dipeptidyl peptidase 4 reviewed Enzyme DPP4 IC50 '=' 280 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF00055 Pummelo Citrus maxima Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00109 Mentha (Mint) Mentha Herbs and Spices
BXGF00110 Orange mint Mentha aquatica Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00149 Peach Prunus persica Fruits
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00181 Dandelion Taraxacum officinale Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00227 Welsh onion Allium fistulosum Herbs and Spices
BXGF00239 Grapefruit Citrus X paradisi Fruits
BXGF00570 Grape wine Beverages
BXGF00811 Citrus Fruits
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00824 Green vegetables Vegetables
BXGF00871 Citrus unshiu Citrus unshiu Medicinal Plant
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF01668 Taraxacum platycarpum Taraxacum platycarpum Medicinal Plant
BXGF01716 Mentha canadensis Mentha canadensis Medicinal Plant
BXGF02106 Citrus medica Citrus medica Medicinal Plant
BXGF02152 Taraxacum borealisinense Taraxacum borealisinense Others
BXGF02237 Citrus wilsonii Citrus wilsonii Medicinal Plant
BXGF02852 Sophora flavescens Sophora flavescens Medicinal Plant
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF03327 Citrus trifoliata Citrus trifoliata Human Edible Plant
BXGF03392 Paulownia tomentosa Paulownia tomentosa Medicinal Plant
BXGF03398 Solanum nigrum Solanum nigrum Medicinal Plant
BXGF03630 Taraxacum coreanum Taraxacum coreanum Others
BXGF04062 Spatholobus suberectus Spatholobus suberectus Medicinal Plant
BXGF04310 Taraxacum mongolicum Taraxacum mongolicum Medicinal Plant
BXGF04907 Echinopsis radix Echinopsis radix Others
BXGF04978 Isatis indigotica Isatis indigotica Medicinal Plant
BXGF05431 Citrus natsudaidai Citrus natsudaidai Human Edible Plant
BXGF05819 Citrus aurantium Citrus aurantium Medicinal Plant
BXGF05863 Allium azureum ledeb Allium azureum ledeb Others
BXGF06092 Schizonepeta tenuifolia Schizonepeta tenuifolia 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