Showing entry for 1-Phenyl-1-propanone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004754
Compound Name1-Phenyl-1-propanone
Structure
FormulaC9H10O
InchiKeyKRIOVPPHQSLHCZ-UHFFFAOYSA-N
SMILESCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
IUPAC1-phenylpropan-1-one
Molecular Weight134.18
Pubchem Id7148
Chembl IdCHEMBL193446
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 I1E
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
P30838 BXGT009471 Aldehyde dehydrogenase, dimeric NADP-preferring reviewed ALDH3A1 - - - - -
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 CHEMBL193446
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
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
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00815 Milk and milk products Milk and milk products
BXGF00821 Nuts Nuts
BXGF04605 Senna alexandrina Senna alexandrina 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