Showing entry for alpha-isomethylionone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0030717
Compound Namealpha-isomethylionone
Structure
FormulaC14H22O
InchiKeyJRJBVWJSTHECJK-PKNBQFBNSA-N
SMILESCC1=CCCC(C1/C=C(/C(=O)C)\C)(C)C
InchiInChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
IUPAC(E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Molecular Weight206.17
Pubchem Id5372174
Chembl IdCHEMBL3183353
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 CHEMBL3183353
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
Q8NHB7 BXGT018568 Olfactory receptor 5K1 reviewed - OR5K1 Inhibition '>=' 50 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01958 Magnolia denudata Magnolia denudata Medicinal Plant
BXGF02004 Magnolia salicifolia Magnolia salicifolia Medicinal Plant
BXGF02759 Magnolia biondii Magnolia biondii Medicinal Plant
BXGF02843 Magnolia kobus Magnolia kobus Medicinal Plant
BXGF03977 Magnolia sprengeri Magnolia sprengeri 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