Showing entry for 4-Hexyl-gamma-butyrolactone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004344
Compound Name4-Hexyl-gamma-butyrolactone
Structure
FormulaC10H18O2
InchiKeyIFYYFLINQYPWGJ-UHFFFAOYSA-N
SMILESCCCCCCC1CCC(=O)O1
InchiInChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
IUPAC5-hexyloxolan-2-one
Molecular Weight170.25
Pubchem Id12813
Chembl IdCHEMBL365740
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 CHEMBL365740
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 '=' 110000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00113 Peppermint Mentha X piperita Herbs and Spices
BXGF00144 Apricot Prunus armeniaca Fruits
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00191 Highbush blueberry Vaccinium corymbosum Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00823 Fruits Fruits
BXGF01081 Akebia trifoliata Akebia trifoliata Medicinal Plant
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01283 Crataegus pinnatifida Crataegus pinnatifida Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02927 Akebia quinata Akebia quinata Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF06107 Glehnia littoralis Glehnia littoralis 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