Showing entry for (R)-5-Ethyl-3-Hexadecanoyl-4-Methyl-5H-Furan-2-Oneo


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046524
Compound Name(R)-5-Ethyl-3-Hexadecanoyl-4-Methyl-5H-Furan-2-Oneo
Structure
FormulaC21H36O5
InchiKeyKZTSLHQKWLYYAC-GOSISDBHSA-N
SMILESCCCCCCCCCCCCCCCC(=O)C1=C(O)[C@H](OC1=O)CO
InchiInChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1
IUPAC(2R)-4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
Molecular Weight368.26
Pubchem Id54678922
Chembl IdCHEMBL426373
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 50093526
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
reviewed BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed PTPN1 - 4500 - -
CHEMBL CHEMBL426373
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
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4490 nM
Q9Y251 BXGT022215 Heparanase reviewed Enzyme HPSE IC50 '=' 17000 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4500 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4700 nM
P51452 BXGT010849 Dual specificity protein phosphatase 3 reviewed - DUSP3 IC50 '=' 10200 nM
P30306 BXGT009420 M-phase inducer phosphatase 2 reviewed - Cdc25b IC50 '=' 2200 nM
P51452 BXGT010849 Dual specificity protein phosphatase 3 reviewed - DUSP3 IC50 '=' 11600 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4400 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4100 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4600 nM
P17706 BXGT008330 Tyrosine-protein phosphatase non-receptor type 2 reviewed - PTPN2 IC50 '=' 5100 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 45000 nM
P30306 BXGT009420 M-phase inducer phosphatase 2 reviewed - Cdc25b IC50 '=' 5100 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Vmax - - -
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 5620 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 IC50 '=' 4000 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Km - - -
P51452 BXGT010849 Dual specificity protein phosphatase 3 reviewed - DUSP3 IC50 '=' 11700 nM
P18031 BXGT008369 Tyrosine-protein phosphatase non-receptor type 1 reviewed - PTPN1 Inhibition '=' 99 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02098 Polytrichastrum alpinum Polytrichastrum alpinum Others
BXGF03183 Astilbe koreana Astilbe koreana Others
BXGF04998 Rhododendron brachycarpum Rhododendron brachycarpum Medicinal Plant
BXGF06042 Erythrina abyssinica Erythrina abyssinica 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