Showing entry for Benzylacetone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050266
Compound NameBenzylacetone
Structure
FormulaC10H12O
InchiKeyAKGGYBADQZYZPD-UHFFFAOYSA-N
SMILESCC(=O)CCc1ccccc1
InchiInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
IUPAC4-phenylbutan-2-one
Molecular Weight148.09
Pubchem Id17355
Chembl IdCHEMBL1490851
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 n.a
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
CHEMBL CHEMBL1490851
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
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 5011 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01346 Aquilaria agallochum Aquilaria agallochum Medicinal Plant
BXGF01856 Aquilaria sinensis Aquilaria sinensis Medicinal Plant
BXGF02612 Mosla chinensis Mosla chinensis Medicinal Plant
BXGF02811 Cyperus haspan Cyperus haspan Human Edible Plant
BXGF03189 Rhododendron dauricum Rhododendron dauricum Medicinal Plant
BXGF03243 Elsholtzia ciliata Elsholtzia ciliata Medicinal Plant
BXGF03682 Imperata cylindrica Imperata cylindrica Medicinal Plant
BXGF05324 Goniothalamus thwaitesii Goniothalamus thwaitesii Others
BXGF06288 Salvinia imbricata Salvinia imbricata Others
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