Showing entry for 3,5,5-Trimethyl-2-cyclohexen-1-one


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002384
Compound Name3,5,5-Trimethyl-2-cyclohexen-1-one
Structure
FormulaC9H14O
InchiKeyHJOVHMDZYOCNQW-UHFFFAOYSA-N
SMILESCC1=CC(=O)CC(C)(C)C1
InchiInChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
IUPAC3,5,5-trimethylcyclohex-2-en-1-one
Molecular Weight138.21
Pubchem Id6544
Chembl IdCHEMBL1882894
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 CHEMBL1882894
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
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Potency - 50118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00033 Kohlrabi Brassica oleracea var. gongylodes Vegetables
BXGF00063 Saffron Crocus sativus Herbs and Spices
BXGF00111 Cornmint Mentha arvensis Herbs and Spices
BXGF00380 White mustard Sinapis alba Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00823 Fruits Fruits
BXGF01048 Paederia scandens Paederia scandens Medicinal Plant
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01716 Mentha canadensis Mentha canadensis Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02815 Pinellia ternata Pinellia ternata Medicinal Plant
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba 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