Showing entry for 1-Phenyl-1,2-propanedione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007060
Compound Name1-Phenyl-1,2-propanedione
Structure
FormulaC9H8O2
InchiKeyBVQVLAIMHVDZEL-UHFFFAOYSA-N
SMILESCC(=O)C(=O)C1=CC=CC=C1
InchiInChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3
IUPAC1-phenylpropane-1,2-dione
Molecular Weight148.16
Pubchem Id11363
Chembl IdCHEMBL192258
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 22724
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 1840 - - -
reviewed BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 5270 - - -
reviewed BXGT007803 Liver carboxylesterase 1 reviewed - 4930 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE >100000 - - -
reviewed BXGT006430 Cholinesterase reviewed BCHE >100000 - - -
reviewed BXGT003942 Cocaine esterase reviewed Enzyme CES2 1840 - - -
CHEMBL CHEMBL192258
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
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '>' 100000 nM
P23141 BXGT008830 Liver carboxylesterase 1 reviewed Enzyme CES1 Ki '=' 5270 nM
O00748 BXGT003942 Cocaine esterase reviewed Enzyme CES2 Ki '=' 1840 nM
P12337 BXGT007803 Liver carboxylesterase 1 reviewed - Ki '=' 4930 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF01109 Styrax benzoin Styrax benzoin Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF03282 Ephedra intermedia Ephedra intermedia Medicinal Plant
BXGF04564 Ephedra equisetina Ephedra equisetina 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