Showing entry for cyclooctanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020330
Compound Namecyclooctanone
Structure
FormulaC8H14O
InchiKeyIIRFCWANHMSDCG-UHFFFAOYSA-N
SMILESO=C1CCCCCCC1
InchiInChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
IUPACcyclooctanone
Molecular Weight126.1
Pubchem Id10403
Chembl IdCHEMBL18737
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 50028793
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 BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT - 72000 - -
CHEMBL CHEMBL18737
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
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT IC50 '=' 72000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00068 Turmeric Curcuma longa Herbs and Spices
BXGF05442 Zanthoxylum bungeanum Zanthoxylum bungeanum Medicinal Plant
BXGF06075 Zanthoxylum schinifolium Zanthoxylum schinifolium 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