Showing entry for Isopropyl acetate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002419
Compound NameIsopropyl acetate
Structure
FormulaC5H10O2
InchiKeyJMMWKPVZQRWMSS-UHFFFAOYSA-N
SMILESCC(C)OC(C)=O
InchiInChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
IUPACpropan-2-yl acetate
Molecular Weight102.13
Pubchem Id7915
Chembl IdCHEMBL1608674
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 CHEMBL1608674
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
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 31622 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 6309 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00105 Apple Malus pumila Fruits
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00806 Alcoholic beverages Beverages
BXGF00808 Pomes Fruits
BXGF00815 Milk and milk products Milk and milk products
BXGF00816 Fats and oils Fats and oils
BXGF00819 Pulses Pulses
BXGF00823 Fruits Fruits
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