Showing entry for 2-Octanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002474
Compound Name2-Octanone
Structure
FormulaC8H16O
InchiKeyZPVFWPFBNIEHGJ-UHFFFAOYSA-N
SMILESCCCCCCC(C)=O
InchiInChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
IUPACoctan-2-one
Molecular Weight128.21
Pubchem Id8093
Chembl IdCHEMBL18549
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 50028815
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 - 664000 - -
CHEMBL CHEMBL18549
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 '=' 664000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00100 Lovage Levisticum officinale Herbs and Spices
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00393 Pepper (C. frutescens) Capsicum annuum var. annuum Vegetables
BXGF00806 Alcoholic beverages Beverages
BXGF00808 Pomes Fruits
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00814 Crustaceans Aquatic foods
BXGF00815 Milk and milk products Milk and milk products
BXGF00821 Nuts Nuts
BXGF00823 Fruits Fruits
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox Medicinal Plant
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF04605 Senna alexandrina Senna alexandrina Medicinal Plant
BXGF04631 Aloe spicata Aloe spicata Medicinal Plant
BXGF04926 Aloe africana Aloe africana 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