Showing entry for 4,6-Dimethylpyran-2-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0031103
Compound Name4,6-Dimethylpyran-2-One
Structure
FormulaC7H8O2
InchiKeyIXYLIUKQQQXXON-UHFFFAOYSA-N
SMILESCc1cc(C)oc(=O)c1
InchiInChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
IUPAC4,6-dimethylpyran-2-one
Molecular Weight124.05
Pubchem Id12662
Chembl IdCHEMBL372284
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 50167999
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 19100 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >100000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 2470 - - -
CHEMBL CHEMBL372284
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
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 2470 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 19100 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 4500000 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00081 Fig Ficus carica 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