Showing entry for 4-Methyl-gamma-butyrolactone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005764
Compound Name4-Methyl-gamma-butyrolactone
Structure
FormulaC5H8O2
InchiKeyGAEKPEKOJKCEMS-UHFFFAOYSA-N
SMILESCC1CCC(=O)O1
InchiInChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
IUPAC5-methyloxolan-2-one
Molecular Weight100.12
Pubchem Id7921
Chembl IdCHEMBL195593
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 50168010
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 BXGT005689 Carbonic anhydrase 1 reviewed CA1 4690 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >100000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 920 - - -
CHEMBL CHEMBL195593
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
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 920 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 15000000 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 4690 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00806 Alcoholic beverages Beverages
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00815 Milk and milk products Milk and milk products
BXGF00821 Nuts Nuts
BXGF00823 Fruits Fruits
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