Showing entry for Methyl dodecanoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002249
Compound NameMethyl dodecanoate
Structure
FormulaC13H26O2
InchiKeyUQDUPQYQJKYHQI-UHFFFAOYSA-N
SMILESCCCCCCCCCCCC(=O)OC
InchiInChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
IUPACmethyl dodecanoate
Molecular Weight214.34
Pubchem Id8139
Chembl IdCHEMBL1894365
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 CHEMBL1894365
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
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 39810 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 35481 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 25118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 24336 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency - 39810 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 22387 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 7079 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 35481 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 31622 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 3162 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 25118 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 22387 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 9688 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 50118 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 31622 nM
Q9R1A7 BXGT021413 Nuclear receptor subfamily 1 group I member 2 reviewed - Nr1i2 Potency - 22387 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 15848 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 19952 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00081 Fig Ficus carica Fruits
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00806 Alcoholic beverages Beverages
BXGF00808 Pomes Fruits
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00815 Milk and milk products Milk and milk products
BXGF00816 Fats and oils Fats and oils
BXGF00823 Fruits Fruits
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01823 Houttuynia cordata Houttuynia cordata Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF03015 Gmelina arborea Gmelina arborea Medicinal Plant
BXGF03610 Bistorta officinalis Bistorta officinalis Medicinal Plant
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF04047 Spirodela polyrhiza Spirodela polyrhiza Others
BXGF04224 Bistorta manshuriensis Bistorta manshuriensis Others
BXGF04996 Dolichos lablab Dolichos lablab Others
BXGF06187 Stephania delavayi Stephania delavayi 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