Showing entry for Benzyl benzoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006392
Compound NameBenzyl benzoate
Structure
FormulaC14H12O2
InchiKeySESFRYSPDFLNCH-UHFFFAOYSA-N
SMILESO=C(OCC1=CC=CC=C1)C1=CC=CC=C1
InchiInChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
IUPACbenzyl benzoate
Molecular Weight212.24
Pubchem Id2345
Chembl IdCHEMBL1239
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 BZM
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
P81245 BXGT011940 Odorant-binding protein reviewed - - 3900 - -
A0P0F0 BXGT000851 Putative cyclase unreviewed SIAM614_30646 - - - - -
Binding DB 50134035
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 BXGT008104 Hormone-sensitive lipase reviewed Lipe - 1100 - -
reviewed BXGT005647 Chymotrypsinogen A reviewed - - 250000 - -
reviewed BXGT005666 Beta-lactamase reviewed ampC - 90000 - -
reviewed BXGT010206 Malate dehydrogenase, cytoplasmic reviewed Enzyme MDH1 - 125000 - -
CHEMBL CHEMBL1239
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
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 56234 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 89125 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 1584 nM
P40925 BXGT010206 Malate dehydrogenase, cytoplasmic reviewed Enzyme MDH1 IC50 '=' 24 -
P00346 BXGT005508 Malate dehydrogenase, mitochondrial reviewed - MDH2 IC50 '=' 7 -
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 3162 nM
P40925 BXGT010206 Malate dehydrogenase, cytoplasmic reviewed Enzyme MDH1 IC50 '=' 125000 nM
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 Activity '=' 9 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '>' 50 -
P00766 BXGT005647 Chymotrypsinogen A reviewed - IC50 '=' 250000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
P50052 BXGT010768 Type-2 angiotensin II receptor reviewed G-protein coupled receptor AGTR2 Activity '=' 0 %
P00811 BXGT005666 Beta-lactamase reviewed - ampC IC50 '=' 90000 nM
P00766 BXGT005647 Chymotrypsinogen A reviewed - IC50 '=' 19 -
P05364 BXGT006351 Beta-lactamase reviewed - ampC IC50 '>' 50 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P30556 BXGT009441 Type-1 angiotensin II receptor reviewed G-protein coupled receptor AGTR1 Activity '=' 21 %
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 22387 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 41 %
P15304 BXGT008104 Hormone-sensitive lipase reviewed - Lipe IC50 '=' 1100 nM
P29754 BXGT009379 Type-1A angiotensin II receptor reviewed - Agtr1a IC50 '=' 107 ug.mL-1
P30556 BXGT009441 Type-1 angiotensin II receptor reviewed G-protein coupled receptor AGTR1 Activity '=' 62 %
P00766 BXGT005647 Chymotrypsinogen A reviewed - IC50 '=' 3 -
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 125 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 16136 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 96 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 8912 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 8912 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 74 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 17782 nM
P15304 BXGT008104 Hormone-sensitive lipase reviewed - Lipe Inhibition '=' 66 %
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
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00046 Roman camomile Chamaemelum nobile Herbs and Spices
BXGF00050 Chinese cinnamon Cinnamomum aromaticum Herbs and Spices
BXGF00051 Ceylon cinnamon Cinnamomum verum Herbs and Spices
BXGF00077 Rocket salad (ssp.) Eruca vesicaria ssp. sativa Vegetables
BXGF00179 Cloves Syzygium aromaticum Herbs and Spices
BXGF00192 American cranberry Vaccinium macrocarpon Fruits
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00902 Liquidambar orientalis Liquidambar orientalis Medicinal Plant
BXGF00911 Piper attenuatum Piper attenuatum Medicinal Plant
BXGF01109 Styrax benzoin Styrax benzoin Medicinal Plant
BXGF01224 Tetracera alnifolia Tetracera alnifolia Medicinal Plant
BXGF01325 Murraya exotica Murraya exotica Medicinal Plant
BXGF01370 Artemisia jacutica Artemisia jacutica Others
BXGF01487 Styrax tonkinensis Styrax tonkinensis Medicinal Plant
BXGF01596 Sinapis semen Sinapis semen Others
BXGF01710 Aconitum fischeri Aconitum fischeri Medicinal Plant
BXGF01858 Bersama abyssinica Bersama abyssinica Medicinal Plant
BXGF01929 Uvaria acuminata Uvaria acuminata Medicinal Plant
BXGF01973 Lonicera japonica Lonicera japonica Medicinal Plant
BXGF01991 Rosa rugosa Rosa rugosa Medicinal Plant
BXGF02412 Pulmonaria mollis Pulmonaria mollis Others
BXGF02441 Aconitum sajanense Aconitum sajanense Others
BXGF02518 Schkuhria multiflora Schkuhria multiflora Others
BXGF02699 Hyacinthus orientalis Hyacinthus orientalis Medicinal Plant
BXGF02749 Lagascea mollis Lagascea mollis Medicinal Plant
BXGF02797 Espeletia grandiflora Espeletia grandiflora Others
BXGF02870 Strychnos triplinervia Strychnos triplinervia Medicinal Plant
BXGF02872 Phlegmariurus yunnanensis Phlegmariurus yunnanensis Others
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF03671 Leonurus japonicus Leonurus japonicus Medicinal Plant
BXGF03710 Solidago decurrens Solidago decurrens Others
BXGF03734 Anthocleista grandiflora Anthocleista grandiflora Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
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
BXGF04361 Cynomorium songaricum Cynomorium songaricum Medicinal Plant
BXGF04382 Murraya paniculata Murraya paniculata Medicinal Plant
BXGF05119 Rheedia acuminata Rheedia acuminata Human Edible Plant
BXGF05136 Acacia aulacocarpa Acacia aulacocarpa Others
BXGF05164 Aspidosperma subincanum Aspidosperma subincanum Medicinal Plant
BXGF05229 Apocynum androsaemifolium Apocynum androsaemifolium Medicinal Plant
BXGF05269 Hypericum perforatum Hypericum perforatum Medicinal Plant
BXGF05286 Cassia jahnii Cassia jahnii Others
BXGF05323 Ardisia neriifolia Ardisia neriifolia Others
BXGF05343 Psiadia dentata Psiadia dentata Others
BXGF05407 Peritassa compta Peritassa compta Others
BXGF05415 Eupatorium argentinum Eupatorium argentinum Others
BXGF05609 Cryptocarya aschersoniana Cryptocarya aschersoniana Others
BXGF05667 Myroxylon pereirae Myroxylon pereirae Others
BXGF05707 Juniperus brevifolia Juniperus brevifolia Others
BXGF05718 Avrainvillea rawsonii Avrainvillea rawsonii Others
BXGF05865 Guatteria boliviana Guatteria boliviana Others
BXGF05874 Damnacanthus major Damnacanthus major Others
BXGF06020 Anemone flaccida Anemone flaccida Medicinal Plant
BXGF06063 Stauntonia hexaphylla Stauntonia hexaphylla Medicinal Plant
BXGF06224 Rubus sanctus Rubus sanctus Medicinal Plant
BXGF06257 Rosa multiflora Rosa multiflora 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