Showing entry for parasorbic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0036761
Compound Nameparasorbic acid
Structure
FormulaC6H8O2
InchiKeyDYNKRGCMLGUEMN-YFKPBYRVSA-N
SMILESC[C@H]1CC=CC(=O)O1
InchiInChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1
IUPAC(2S)-2-methyl-2,3-dihydropyran-6-one
Molecular Weight112.05
Pubchem Id441575
Chembl IdCHEMBL2252704
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 CHEMBL2252704
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
P25162 BXGT009029 Acetylcholine receptor subunit beta-like 2 reviewed - nAChRbeta2 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
BXGF04456 Sorbus tianschanica Sorbus tianschanica Medicinal Plant
BXGF05814 Rauvolfia serpentina Rauvolfia serpentina 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