Showing entry for 3-Methylbenzaldehyde


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000474
Compound Name3-Methylbenzaldehyde
Structure
FormulaC8H8O
InchiKeyOVWYEQOVUDKZNU-UHFFFAOYSA-N
SMILESCC1=CC(C=O)=CC=C1
InchiInChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
IUPAC3-methylbenzaldehyde
Molecular Weight120.15
Pubchem Id12105
Chembl Id
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 85649
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 BXGT004563 Polyphenol oxidase 2 reviewed PPO2 290000 450000 - -
CHEMBL n.a
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
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00806 Alcoholic beverages Beverages
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00821 Nuts Nuts
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01900 Aloe ferox Aloe ferox 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