Showing entry for Quercetin 3-O-methyl-ether


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003696
Compound NameQuercetin 3-O-methyl-ether
Structure
FormulaC16H12O7
InchiKeyWEPBGSIAWZTEJR-UHFFFAOYSA-N
SMILESCOC1=C(OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1
InchiInChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
IUPAC2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one
Molecular Weight316.26
Pubchem Id5280681
Chembl IdCHEMBL163316
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 50240896
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 BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 44872 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 1904 - -
reviewed BXGT011911 Xanthine dehydrogenase/oxidase reviewed XDH - 31600 - -
CHEMBL CHEMBL163316
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
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 31622 nM
Q28731 BXGT013954 Thrombin unreviewed - thrombin PT '=' 4 s
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 12589 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 31622 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 14044 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 7897 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 56234 nM
Q9BJJ9 BXGT020099 Enoyl-ACP reductase unreviewed - FabI Inhibition '=' 88 %
Q28731 BXGT013954 Thrombin unreviewed - thrombin Activity '=' 4 g/L
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 78 %
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 '=' 10000 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 11995 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 35481 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 15848 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 4466 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 100 %
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH IC50 '=' 31600 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 25118 nM
Q9H0H5 BXGT020436 Rac GTPase-activating protein 1 reviewed Enzyme modulator RACGAP1 IC50 - 30340 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 8912 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 3548 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 14125 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 35481 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 14125 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 23109 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 35481 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 17782 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 25118 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 28 %
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 20596 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 223 nM
P04792 BXGT006264 Heat shock protein beta-1 reviewed - HSPB1 Activity - - -
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 18348 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 5011 nM
Q9BJJ9 BXGT020099 Enoyl-ACP reductase unreviewed - FabI IC50 '=' 35200 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 35481 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 28183 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 12589 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 Inhibition '=' 95 %
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 44668 nM
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH Inhibition '=' 98 %
Q28731 BXGT013954 Thrombin unreviewed - thrombin APTT '=' 50 s
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 44668 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 12516 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 19952 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 23934 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 35481 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 42284 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 22387 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 25918 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 9200 nM
Q28731 BXGT013954 Thrombin unreviewed - thrombin TT '=' 22 s
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 10322 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 39810 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 11220 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 16360 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00025 Common beet Beta vulgaris Vegetables
BXGF00134 Common bean Phaseolus vulgaris Pulses
BXGF00881 Oreoherzogia fallax Oreoherzogia fallax Medicinal Plant
BXGF00897 Afrocarpus falcatus Afrocarpus falcatus Medicinal Plant
BXGF00900 Melaleuca cuticularis Melaleuca cuticularis Others
BXGF00909 Ichthyothere terminalis Ichthyothere terminalis Others
BXGF00935 Periploca calophylla Periploca calophylla Medicinal Plant
BXGF01047 Piper taboganum Piper taboganum Others
BXGF01082 Hemsleya graciliflora Hemsleya graciliflora Medicinal Plant
BXGF01164 Polygala reinii Polygala reinii Medicinal Plant
BXGF01722 Microglossa pyrrhopappa Microglossa pyrrhopappa Others
BXGF01725 Ficus mucuso Ficus mucuso Human Edible Plant
BXGF01747 Adenocarpus foliolosus Adenocarpus foliolosus Others
BXGF01772 Corydalis ochotensis Corydalis ochotensis Medicinal Plant
BXGF01783 Ipomoea reptans Ipomoea reptans Medicinal Plant
BXGF01797 Maytenus laevis Maytenus laevis Human Edible Plant
BXGF01828 Retama duriaei Retama duriaei Others
BXGF01862 Rubia schumanniana Rubia schumanniana Others
BXGF02031 Scopolia tangutica Scopolia tangutica Others
BXGF02164 Isodon japonica var. glaucocalyx Isodon japonica var. glaucocalyx Others
BXGF02277 Iberis amara Iberis amara Medicinal Plant
BXGF02327 Sophora tometosa Sophora tometosa Others
BXGF02378 Aster oharai Aster oharai Others
BXGF02428 Prumnopitys ferruginoides Prumnopitys ferruginoides Others
BXGF02520 Heliotropium amplexicaule Heliotropium amplexicaule Medicinal Plant
BXGF02669 Canella winterana Canella winterana Medicinal Plant
BXGF02787 Melia azedarach Melia azedarach Medicinal Plant
BXGF02887 Corchorus depressus Corchorus depressus Medicinal Plant
BXGF03003 Flemingia chappar Flemingia chappar Medicinal Plant
BXGF03304 Sporobolus cynosuroides Sporobolus cynosuroides Others
BXGF03438 Clethra macrophylla Clethra macrophylla Others
BXGF03544 Nicotiana debneyi Nicotiana debneyi Others
BXGF03610 Bistorta officinalis Bistorta officinalis Medicinal Plant
BXGF03669 Clausena lansium Clausena lansium Medicinal Plant
BXGF03690 Narcissus obesus Narcissus obesus Others
BXGF03823 Thalictrum cultratum Thalictrum cultratum Medicinal Plant
BXGF03842 Turricula parryi Turricula parryi Others
BXGF03847 Thermopsis mollis Thermopsis mollis Others
BXGF03862 Sophora exigua Sophora exigua Others
BXGF03881 Acacia pycnantha Acacia pycnantha Medicinal Plant
BXGF03952 Ericameria diffusa Ericameria diffusa Others
BXGF04032 Ocotea pulchella Ocotea pulchella Others
BXGF04040 Uncaria laevigata Uncaria laevigata Medicinal Plant
BXGF04080 Persicaria orientalis Persicaria orientalis Medicinal Plant
BXGF04093 Lippia mexicana Lippia mexicana Human Edible Plant
BXGF04139 Carlina acaulis Carlina acaulis Medicinal Plant
BXGF04145 Salvia digitaloides Salvia digitaloides Medicinal Plant
BXGF04154 Eumorphia sericea Eumorphia sericea Others
BXGF04162 Asterogyne martiana Asterogyne martiana Others
BXGF04181 Eupatorium birmanicum Eupatorium birmanicum Medicinal Plant
BXGF04194 Fagopyrum dibotrys Fagopyrum dibotrys Medicinal Plant
BXGF04206 Cirsium tanakae Cirsium tanakae Human Edible Plant
BXGF04224 Bistorta manshuriensis Bistorta manshuriensis Others
BXGF04246 Chrysosplenium echinus Chrysosplenium echinus Others
BXGF04253 Eriostemon thryptomenoides Eriostemon thryptomenoides Others
BXGF04271 Artemisia annua Artemisia annua Medicinal Plant
BXGF04282 Beilschmiedia volckii Beilschmiedia volckii Others
BXGF04290 Garcinia pseudoguttifera Garcinia pseudoguttifera Medicinal Plant
BXGF04305 Heliotropium eichwaldii Heliotropium eichwaldii Medicinal Plant
BXGF04311 Berkheya zeyheri Berkheya zeyheri Human Edible Plant
BXGF04314 Xanthium pungens Xanthium pungens Others
BXGF04320 Ligularia lamarum Ligularia lamarum Others
BXGF04322 Baccharis magellanica Baccharis magellanica Others
BXGF04339 Thermopsis alpina Thermopsis alpina Medicinal Plant
BXGF04352 Aloe vulgaris Aloe vulgaris Human Edible Plant
BXGF04430 Crinum latifolium Crinum latifolium Medicinal Plant
BXGF04450 Senna lindheimeriana Senna lindheimeriana Others
BXGF04762 Gutierrezia microcephala Gutierrezia microcephala Others
BXGF04801 Anthoxanthum nitens Anthoxanthum nitens Medicinal Plant
BXGF04910 Spinulum annotinum Spinulum annotinum Medicinal Plant
BXGF04944 Sabal causiarum Sabal causiarum Others
BXGF04945 Lonchocarpus yucatanensis Lonchocarpus yucatanensis Others
BXGF04953 Polygonum aviculare Polygonum aviculare Medicinal Plant
BXGF05053 siegesbeckia glabrescens siegesbeckia glabrescens Others
BXGF05073 Alnus cordata Alnus cordata Human Edible Plant
BXGF05103 Argemone mexicana Argemone mexicana Medicinal Plant
BXGF05308 Aloe deltoideodonta Aloe deltoideodonta Others
BXGF05459 Vachellia pennatula Vachellia pennatula Medicinal Plant
BXGF05488 Endiandra xanthocarpa Endiandra xanthocarpa Others
BXGF05501 Bauhinia purpurea Bauhinia purpurea Medicinal Plant
BXGF05676 Betula exilis Betula exilis Others
BXGF05727 Cardopatium corymbosum Cardopatium corymbosum Others
BXGF05780 Sidastrum tehuacanum Sidastrum tehuacanum Others
BXGF05861 Chromolaena arnottiana Chromolaena arnottiana Others
BXGF05960 Leitneria floridana Leitneria floridana Others
BXGF06043 Holboellia fargesi Holboellia fargesi Others
BXGF06108 Centipeda minima Centipeda minima Medicinal Plant
BXGF06112 Daphne giraldii Daphne giraldii Others
BXGF06124 Notholaena aschenborniana Notholaena aschenborniana Others
BXGF06176 Helichrysum subulifolium Helichrysum subulifolium Others
BXGF06301 Oricia gabonensis Oricia gabonensis 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