Showing entry for 6-Hydroxycoumarin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021053
Compound Name6-Hydroxycoumarin
Structure
FormulaC9H6O3
InchiKeyCJIJXIFQYOPWTF-UHFFFAOYSA-N
SMILESOc1ccc2c(c1)ccc(=O)o2
InchiInChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
IUPAC6-hydroxychromen-2-one
Molecular Weight162.03
Pubchem Id99477
Chembl IdCHEMBL243263
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 50327651
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 BXGT004601 Carbonic anhydrase 12 reviewed CA12 680 - - -
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 >100000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >100000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 190 - - -
reviewed BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 - 171000 - -
reviewed BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD - >400000 - -
CHEMBL CHEMBL243263
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
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 FC '=' 0 -
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Kinact '>' 100 uM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Kinact '>' 100 uM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 171000 nM
Q00796 BXGT012549 Sorbitol dehydrogenase reviewed Enzyme SORD IC50 '>' 400000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Kinact '=' 0 uM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Kinact '=' 0 uM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 680 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 100000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 190 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '>' 10000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 30 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 10000 nM
O43570 BXGT004601 Carbonic anhydrase 12 reviewed - CA12 Ki '=' 33 nM
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
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