Showing entry for Quercetin 3-glucuronide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009194
Compound NameQuercetin 3-glucuronide
Structure
FormulaC21H18O13
InchiKeyDUBCCGAQYVUYEU-UHFFFAOYSA-N
SMILESOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C(O)=C2)OC(C1O)C(O)=O
InchiInChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)
IUPAC6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight478.36
Pubchem Id12004528
Chembl IdCHEMBL1506682
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 CHEMBL1506682
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
Q4GZG4 BXGT014813 Phosphoglycerate kinase unreviewed - PGKC Potency - 10311 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22387 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 12589 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 31622 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 37933 nM
P09923 BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI IC50 '=' 3150 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 4466 nM
P24822 BXGT008996 Intestinal-type alkaline phosphatase reviewed - Iap IC50 '=' 3290 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 25118 nM
Q8IL11 BXGT018306 M17 leucyl aminopeptidase unreviewed - PF3D7_1446200 IC50 '=' 48150 nM
Q4R6F8 BXGT014886 T-complex protein 1 subunit beta reviewed - CCT2 Potency - 11220 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 31622 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 7079 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 19952 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 35481 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P03070 BXGT006016 Large T antigen reviewed - IC50 - 9800 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 11220 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 8912 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 6309 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 14125 nM
P05186 BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL IC50 '>' 100000 nM
P04608 BXGT006236 Protein Tat reviewed - tat IC50 - 2124 nM
P09923 BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI IC50 '=' 891 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 56234 nM
P10696 BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG EC50 '>' 100000 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 3981 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 39810 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 158489 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 44668 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 11220 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 15811 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 89125 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 89125 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00043 Caraway Carum carvi Herbs and Spices
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00061 Coriander Coriandrum sativum Herbs and Spices
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00083 Strawberry Fragaria X ananassa Fruits
BXGF00095 Lettuce Lactuca sativa Vegetables
BXGF00134 Common bean Phaseolus vulgaris Pulses
BXGF00137 Anise Pimpinella anisum Herbs and Spices
BXGF00150 Guava Psidium guajava Fruits
BXGF00161 Cloudberry Rubus chamaemorus Fruits
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00728 Cupuaçu Theobroma grandiflorum Herbs and Spices
BXGF00806 Alcoholic beverages Beverages
BXGF00835 Green bean Phaseolus vulgaris Pulses
BXGF01074 Centella asiatica Centella asiatica Medicinal Plant
BXGF03363 Hypericum japonicum Hypericum japonicum Medicinal Plant
BXGF03892 Sesamum indicum Sesamum indicum 0
BXGF04953 Polygonum aviculare Polygonum aviculare Medicinal Plant
BXGF05269 Hypericum perforatum Hypericum perforatum 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