Showing entry for But-3-en-2-one


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003845
Compound NameBut-3-en-2-one
Structure
FormulaC4H6O
InchiKeyFUSUHKVFWTUUBE-UHFFFAOYSA-N
SMILESCC(=O)C=C
InchiInChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
IUPACbut-3-en-2-one
Molecular Weight70.09
Pubchem Id6570
Chembl IdCHEMBL1600824
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 CHEMBL1600824
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 '=' 19952 nM
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 IC50 '=' 331131 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00051 Ceylon cinnamon Cinnamomum verum Herbs and Spices
BXGF00105 Apple Malus pumila Fruits
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00946 Artemisia montana Artemisia montana Medicinal Plant
BXGF03953 Artemisia princeps Artemisia princeps Medicinal Plant
BXGF04611 Artemisia argyi Artemisia argyi Medicinal Plant
BXGF05442 Zanthoxylum bungeanum Zanthoxylum bungeanum Medicinal Plant
BXGF06075 Zanthoxylum schinifolium Zanthoxylum schinifolium 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