Showing entry for Ethyl linilenate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003647
Compound NameEthyl linilenate
Structure
FormulaC20H34O2
InchiKeyJYYFMIOPGOFNPK-XSHSMGBESA-N
SMILES[H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OCC
InchiInChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5+,9-8+,12-11+
IUPACethyl (9E,12E,15E)-octadeca-9,12,15-trienoate
Molecular Weight306.49
Pubchem Id6371716
Chembl IdCHEMBL1527567
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 CHEMBL1527567
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
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 10000 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 15848 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 39810 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 44668 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 63095 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 28183 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 1122 nM
P16050 BXGT008184 Arachidonate 15-lipoxygenase reviewed Enzyme ALOX15 Potency '=' 2511 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 50118 nM
P15917 BXGT008169 Lethal factor reviewed - lef Potency '=' 31622 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 63 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 44668 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 44668 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 59557 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 50118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 66824 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00122 Sweet marjoram Origanum majorana Herbs and Spices
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01973 Lonicera japonica Lonicera japonica Medicinal Plant
BXGF03319 Trichosanthes kirilowii Trichosanthes kirilowii 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