Showing entry for Oxan-2-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0053883
Compound NameOxan-2-One
Structure
FormulaC5H8O2
InchiKeyOZJPLYNZGCXSJM-UHFFFAOYSA-N
SMILESO=C1CCCCO1
InchiInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
IUPACoxan-2-one
Molecular Weight100.05
Pubchem Id10953
Chembl IdCHEMBL452383
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 50360797
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 BXGT005689 Carbonic anhydrase 1 reviewed CA1 9600 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 >100000 - - -
reviewed BXGT013670 Carbonic anhydrase 9 reviewed CA9 3660 - - -
CHEMBL CHEMBL452383
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
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '>' 100000 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 9600 nM
P27169 BXGT009161 Serum paraoxonase/arylesterase 1 reviewed - PON1 Activity '=' 67 umol/min/mg
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '=' 3660 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05526 Salvia miltiorrhiza Salvia miltiorrhiza 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