Showing entry for (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H-Chromene-3,5,7-Triol;Hydrate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050877
Compound Name(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H-Chromene-3,5,7-Triol;Hydrate
Structure
FormulaC15H14O6.H2O
InchiKeyOFUMQWOJBVNKLR-NQQJLSKUSA-N
SMILESOc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O.O
InchiInChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1
IUPAC(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
Molecular Weight290.08
Pubchem Id107957
Chembl IdCHEMBL1256783
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 CHEMBL1256783
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
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '=' 22160 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 7 %
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 23109 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 23109 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 23109 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '>' 380000 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 19952 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 22387 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 89125 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 4110 nM
P03070 BXGT006016 Large T antigen reviewed - IC50 - 11410 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 56234 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 28183 nM
P24822 BXGT008996 Intestinal-type alkaline phosphatase reviewed - Iap IC50 '=' 15500 nM
P05186 BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL IC50 '=' 37100 nM
P09923 BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI IC50 '>' 100000 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 10000 nM
P10696 BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG IC50 '>' 100000 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 22387 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -5 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
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