Showing entry for xi-Dihydro-5-octyl-2(3H)-furanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0008998
Compound Namexi-Dihydro-5-octyl-2(3H)-furanone
Structure
FormulaC12H22O2
InchiKeyWGPCZPLRVAWXPW-UHFFFAOYSA-N
SMILESCCCCCCCCC1CCC(=O)O1
InchiInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
IUPAC5-octyloxolan-2-one
Molecular Weight198.3
Pubchem Id16821
Chembl IdCHEMBL195215
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 CHEMBL195215
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
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 58000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00805 Mushrooms Vegetables
BXGF00806 Alcoholic beverages Beverages
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00811 Citrus Fruits
BXGF00815 Milk and milk products Milk and milk products
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00821 Nuts Nuts
BXGF00823 Fruits Fruits
BXGF00824 Green vegetables Vegetables
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