Showing entry for Benzyl salicylate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000634
Compound NameBenzyl salicylate
Structure
FormulaC14H12O3
InchiKeyZCTQGTTXIYCGGC-UHFFFAOYSA-N
SMILESOC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1
InchiInChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
IUPACbenzyl 2-hydroxybenzoate
Molecular Weight228.24
Pubchem Id8363
Chembl IdCHEMBL460124
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 CHEMBL460124
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
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 31622 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 56234 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 79432 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 5011 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 39810 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 145 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 32629 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 47307 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 13333 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00046 Roman camomile Chamaemelum nobile Herbs and Spices
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00818 Herbs and Spices Herbs and Spices
BXGF02518 Schkuhria multiflora Schkuhria multiflora Others
BXGF03734 Anthocleista grandiflora Anthocleista grandiflora Medicinal Plant
BXGF03743 Helleborus caucasicus Helleborus caucasicus Others
BXGF03758 Lespedeza homoloba Lespedeza homoloba Medicinal Plant
BXGF03780 Lolium perenne Lolium perenne Medicinal Plant
BXGF03793 Hypoestes serpens Hypoestes serpens Medicinal Plant
BXGF03806 Primula farinosa Primula farinosa Others
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