Showing entry for Quercetin Dihydrate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0023321
Compound NameQuercetin Dihydrate
Structure
FormulaC15H10O7.H2O
InchiKeyOKXFBEYCJRMINR-UHFFFAOYSA-N
SMILESOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O
InchiInChI=1S/C15H10O7.H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;/h1-5,16-19,21H;1H2
IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
Molecular Weight302.04
Pubchem Id16212154
Chembl IdCHEMBL1173475
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 CHEMBL1173475
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
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 11220 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 474 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 50118 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 112201 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 44668 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 35481 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 1412 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 15003 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 1000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 7307 nM
P03230 BXGT006036 Latent membrane protein 1 reviewed - LMP1 AC50 '=' 233010 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 50118 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 1210 nM
P13423 BXGT007907 Protective antigen reviewed - pagA Inhibition - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 920 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 70794 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 19952 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 7943 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 33807 nM
P29372 BXGT009336 DNA-3-methyladenine glycosylase reviewed Enzyme MPG Inhibition '=' 38 %
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 707 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 562 nM
P30559 BXGT009442 Oxytocin receptor reviewed G-protein coupled receptor OXTR EC50 '>' 29913 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency - 1078 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 39810 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 891 nM
Q8I2J3 BXGT018207 M18 aspartyl aminopeptidase unreviewed - PF3D7_0932300 IC50 '=' 385 nM
P07711 BXGT006661 Cathepsin L1 reviewed Enzyme CTSL IC50 '>' 59642 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 2238 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 2685 nM
P21802 BXGT008691 Fibroblast growth factor receptor 2 reviewed Kinase FGFR2 Inhibition '=' 67 %
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 1834 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 2993 nM
P03070 BXGT006016 Large T antigen reviewed - IC50 - 16140 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 22387 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 22387 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 3162 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 8912 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 4466 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6513 nM
Q4GZG4 BXGT014813 Phosphoglycerate kinase unreviewed - PGKC Potency - 1833 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 11995 nM
P03070 BXGT006016 Large T antigen reviewed - EC50 '>' 50000 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 50118 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 7079 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02214 Morus bombycis Morus bombycis Medicinal Plant
BXGF04607 Morus alba Morus alba 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