Showing entry for n-Butyl acetate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002506
Compound Namen-Butyl acetate
Structure
FormulaC6H12O2
InchiKeyDKPFZGUDAPQIHT-UHFFFAOYSA-N
SMILESCCCCOC(C)=O
InchiInChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
IUPACbutyl acetate
Molecular Weight116.16
Pubchem Id31272
Chembl IdCHEMBL284391
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 8JZ
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
Q9KQH6 BXGT020977 Malonyl CoA-acyl carrier protein transacylase unreviewed VC_2022 - - - - -
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 CHEMBL284391
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 '=' 18869 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00041 Papaya Carica papaya Fruits
BXGF00064 Muskmelon Cucumis melo Gourds
BXGF00105 Apple Malus pumila Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00152 Pear Pyrus communis Fruits
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00166 Black elderberry Sambucus nigra Fruits
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00808 Pomes Fruits
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02182 Atractylodes lancea Atractylodes lancea Medicinal Plant
BXGF03162 Atractylodes macrocephala Atractylodes macrocephala Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba 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