Showing entry for 4-Methylbenzoic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000472
Compound Name4-Methylbenzoic acid
Structure
FormulaC8H8O2
InchiKeyLPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILESCC1=CC=C(C=C1)C(O)=O
InchiInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
IUPAC4-methylbenzoic acid
Molecular Weight136.15
Pubchem Id7470
Chembl IdCHEMBL21708
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 4MA
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
Q9HDQ0 BXGT020545 Laccase unreviewed lcc1 - - - - -
Q93TK0 BXGT019531 Benzoate-coenzyme A ligase unreviewed badA - - - - -
Q2IU02 BXGT014103 Cytochrome P450 unreviewed RPB_3613 - - - 660 -
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 CHEMBL21708
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
P51580 BXGT010864 Thiopurine S-methyltransferase reviewed - TPMT IC50 '=' 288403 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 100 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 21131 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00809 Brassicas Vegetables
BXGF01185 Aloe vera Aloe vera Medicinal Plant
BXGF01283 Crataegus pinnatifida Crataegus pinnatifida 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