Showing entry for 2-Butanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002503
Compound Name2-Butanone
Structure
FormulaC4H8O
InchiKeyZWEHNKRNPOVVGH-UHFFFAOYSA-N
SMILESCCC(C)=O
InchiInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
IUPACbutan-2-one
Molecular Weight72.11
Pubchem Id6569
Chembl IdCHEMBL15849
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 CHEMBL15849
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 '=' 44668 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 56234 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
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00105 Apple Malus pumila Fruits
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00150 Guava Psidium guajava Fruits
BXGF00152 Pear Pyrus communis Fruits
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00173 Garden tomato (var.) Solanum lycopersicum var. lycopersicum Vegetables
BXGF00803 Cabbage Brassica oleracea var. capitata Vegetables
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00823 Fruits Fruits
BXGF00824 Green vegetables Vegetables
BXGF00829 Green bell pepper Capsicum annuum Vegetables
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00831 Orange bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
BXGF00839 White cabbage Brassica oleracea L. var. capitata L. f. alba DC. Vegetables
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox Medicinal Plant
BXGF03704 Camellia saluenensis Camellia saluenensis Medicinal Plant
BXGF04631 Aloe spicata Aloe spicata Medicinal Plant
BXGF04926 Aloe africana Aloe africana 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