Showing entry for 3-Methyl-1,2-cyclopentanedione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004206
Compound Name3-Methyl-1,2-cyclopentanedione
Structure
FormulaC6H8O2
InchiKeyOACYKCIZDVVNJL-UHFFFAOYSA-N
SMILESCC1CCC(=O)C1=O
InchiInChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
IUPAC3-methylcyclopentane-1,2-dione
Molecular Weight112.13
Pubchem Id61209
Chembl IdCHEMBL371371
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 22767
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 BXGT005640 Coagulation factor XII reviewed Enzyme F12 >100000 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 >100000 - - -
reviewed BXGT007803 Liver carboxylesterase 1 reviewed - 15700 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT006430 Cholinesterase reviewed BCHE >100000 - - -
CHEMBL CHEMBL371371
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
P06276 BXGT006430 Cholinesterase reviewed - BCHE Ki '>' 100000 nM
P12337 BXGT007803 Liver carboxylesterase 1 reviewed - Ki '=' 15700 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '>' 100000 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '>' 100000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF04712 Prunus mume Prunus mume 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