Showing entry for Isopentyl acetate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004197
Compound NameIsopentyl acetate
Structure
FormulaC7H14O2
InchiKeyMLFHJEHSLIIPHL-UHFFFAOYSA-N
SMILESCC(C)CCOC(C)=O
InchiInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
IUPAC3-methylbutyl acetate
Molecular Weight130.18
Pubchem Id31276
Chembl IdCHEMBL42013
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 CHEMBL42013
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
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 1062 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 12589 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
BXGF00041 Papaya Carica papaya Fruits
BXGF00081 Fig Ficus carica Fruits
BXGF00105 Apple Malus pumila Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00823 Fruits Fruits
BXGF01048 Paederia scandens Paederia scandens Medicinal Plant
BXGF01721 Humulus lupulus Humulus lupulus 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