Showing entry for 4-Hydroxycoumarins


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017965
Compound Name4-Hydroxycoumarins
Structure
FormulaC9H6O3
InchiKeyVXIXUWQIVKSKSA-UHFFFAOYSA-N
SMILESO=c1cc(O)c2c(o1)cccc2
InchiInChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
IUPAC4-hydroxychromen-2-one
Molecular Weight162.03
Pubchem Id54682930
Chembl IdCHEMBL301141
Targets of Information Source
DrugBank DB03410
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
P46072 BXGT010503 Major NAD(P)H-flavin oxidoreductase reviewed - - experimental -
PDB 4HC
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
P46072 BXGT010503 Major NAD(P)H-flavin oxidoreductase reviewed - - - - -
Binding DB 50055710
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 BXGT010602 Xanthine dehydrogenase/oxidase reviewed Enzyme XDH - 195000 - -
reviewed BXGT004601 Carbonic anhydrase 12 reviewed CA12 6300 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 95000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >100000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 410 - - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - >400000 - -
reviewed BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD - >400000 - -
CHEMBL CHEMBL301141
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
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 100000 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 6300 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 95000 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol Inhibition - - -
P35503 BXGT009840 UDP-glucuronosyltransferase 1-3 reviewed - UGT1A3 Activity '=' 0 pm/min/mg
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Kinact '=' 95 uM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 0 pm/min/mg
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB NI - - -
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA NI - - -
P47989 BXGT010602 Xanthine dehydrogenase/oxidase reviewed Enzyme XDH IC50 '=' 195000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Kinact '=' 0 uM
P0DTE4 BXGT022286 UDP-glucuronosyltransferase 2A1 reviewed - UGT2A1 Activity '=' 8 pm/min/mg
P05091 BXGT006312 Aldehyde dehydrogenase, mitochondrial reviewed Enzyme ALDH2 NI - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 0 -
Q00796 BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD IC50 '>' 400000 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Kinact '>' 100 uM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '>' 100000 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Kinact '=' 6 uM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '>' 400000 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 230 pm/min/mg
P54855 BXGT011088 UDP-glucuronosyltransferase 2B15 reviewed - UGT2B15 Activity '=' 0 pm/min/mg
Q9HAW7 BXGT020508 UDP-glucuronosyltransferase 1-7 reviewed - UGT1A7 Activity '=' 4 pm/min/mg
P04370 BXGT006197 Myelin basic protein reviewed - Mbp Activity - - -
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 410 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 4 pm/min/mg
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 0 pm/min/mg
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Activity '=' 0 pm/min/mg
P68400 BXGT011599 Casein kinase II subunit alpha reviewed Kinase CSNK2A1 Delta Tm '=' 3 degrees C
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA Inhibition - - -
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Inhibition - - -
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF05165 Ruta graveolens Ruta graveolens 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