Showing entry for Pterostilbene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0023497
Compound NamePterostilbene
Structure
FormulaC16H16O3
InchiKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N
SMILESCOc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC
InchiInChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
IUPAC4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Molecular Weight256.11
Pubchem Id5281727
Chembl IdCHEMBL83527
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 3RL
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
P02766 BXGT005953 Transthyretin reviewed TTR Transporter - - - -
B5MGN7 BXGT024478 Glycosyltransferase unreviewed PaGT2 - - - - -
Binding DB 50131688
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 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 - 700 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 820 - -
reviewed BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 - >10000 - -
reviewed BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed Trpa1 - 7500 - -
reviewed BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed Trpa1 - - - 3600
reviewed BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 - 10000 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 42000 - -
reviewed BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed NQO2 - 5100 - -
CHEMBL CHEMBL83527
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
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 15848 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 15848 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 - - -
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 Efficacy '<' 10 %
Q60795 BXGT016000 Nuclear factor erythroid 2-related factor 2 reviewed - Nfe2l2 Activity - - -
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition - - -
P00749 BXGT005641 Urokinase-type plasminogen activator reviewed Enzyme PLAU Activity '=' 25 %
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 13459 nM
P55789 BXGT011126 FAD-linked sulfhydryl oxidase ALR reviewed Enzyme GFER AC50 '=' 778 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 8912 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 2511 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 11220 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 AC50 '=' 85000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 - - -
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 3162 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 700 nM
Q8NER1 BXGT018556 Transient receptor potential cation channel subfamily V member 1 reviewed Ion channel TRPV1 IC50 '>' 10000 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 EC50 '=' 3600 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 IC50 '=' 7500 nM
P16083 BXGT008187 Ribosyldihydronicotinamide dehydrogenase [quinone] reviewed - NQO2 IC50 '=' 5100 nM
P11274 BXGT007681 Breakpoint cluster region protein reviewed Enzyme modulator BCR AC50 '=' 45000 nM
P00519 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 AC50 '=' 45000 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 25118 nM
P11274 BXGT007681 Breakpoint cluster region protein reviewed Enzyme modulator BCR IC50 '=' 10000 nM
P00519 BXGT005570 Tyrosine-protein kinase ABL1 reviewed Kinase ABL1 IC50 '=' 10000 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3981 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 42000 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 820 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Inhibition '=' 23 %
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 570 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 28183 nM
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition '=' 22 %
P00749 BXGT005641 Urokinase-type plasminogen activator reviewed Enzyme PLAU Activity '=' 61 %
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 17782 nM
Q6RI86 BXGT016509 Transient receptor potential cation channel subfamily A member 1 reviewed - Trpa1 Efficacy '=' 71 %
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition '=' 14 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 115 nM
Q60795 BXGT016000 Nuclear factor erythroid 2-related factor 2 reviewed - Nfe2l2 FC '=' 2 -
Q14145 BXGT013448 Kelch-like ECH-associated protein 1 reviewed - KEAP1 Inhibition - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Inhibition - - -
P63000 BXGT011481 Ras-related C3 botulinum toxin substrate 1 reviewed Enzyme modulator RAC1 Inhibition '=' 27 %
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 910 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 5011 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Ki '=' 900 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 1400 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00213 European cranberry Vaccinium oxycoccos Fruits
BXGF00931 Ipomoea digitata Ipomoea digitata Medicinal Plant
BXGF01012 Pterocarpus santalinus Pterocarpus santalinus Medicinal Plant
BXGF01034 Annona cornifolia Annona cornifolia Human Edible Plant
BXGF01174 Salvia syriaca Salvia syriaca Others
BXGF01204 Solanum laxum Solanum laxum Medicinal Plant
BXGF01456 Eucalyptus melliodora Eucalyptus melliodora Others
BXGF01460 Dracaena cochinchinensis Dracaena cochinchinensis Medicinal Plant
BXGF01555 Scutellaria amoena Scutellaria amoena Medicinal Plant
BXGF01614 Goniothalamus malayanus Goniothalamus malayanus Others
BXGF01834 Lysimachia mauritiana Lysimachia mauritiana Others
BXGF01883 Swertia franchetiana Swertia franchetiana Medicinal Plant
BXGF01989 Helipterum roseum Helipterum roseum Others
BXGF02050 Hedysarum connatum Hedysarum connatum Others
BXGF02088 Zanthoxylum tetraspermum Zanthoxylum tetraspermum Medicinal Plant
BXGF02125 Artemisia assoana Artemisia assoana Others
BXGF02183 Dumortiera hirsuta Dumortiera hirsuta Medicinal Plant
BXGF02246 Lepisorus ussuriensis Lepisorus ussuriensis Medicinal Plant
BXGF02295 Alstonia spathulata Alstonia spathulata Others
BXGF02326 Phoebe pittieri Phoebe pittieri Others
BXGF02361 Hypericum laricifolium Hypericum laricifolium Medicinal Plant
BXGF02410 Adiantum lunulatum Adiantum lunulatum Medicinal Plant
BXGF02460 Peltostigma guatemalense Peltostigma guatemalense Others
BXGF02491 Acacia adunca Acacia adunca Others
BXGF02515 Viguiera incana Viguiera incana Others
BXGF02529 Astragalus sempervirens Astragalus sempervirens Others
BXGF02554 Marrubium anisodon Marrubium anisodon Medicinal Plant
BXGF02593 Wikstroemia retusa Wikstroemia retusa Others
BXGF02606 Naucleopsis ternstroemiiflora Naucleopsis ternstroemiiflora Others
BXGF03142 Soymida febrifuga Soymida febrifuga Medicinal Plant
BXGF03947 Rumex maritimus Rumex maritimus Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
BXGF04881 Fallopia multiflora Fallopia multiflora Medicinal Plant
BXGF05187 Calostephane divaricata Calostephane divaricata Others
BXGF05369 Daemonorops draco Daemonorops draco Medicinal Plant
BXGF05742 Caragana aurantiaca Caragana aurantiaca Others
BXGF05862 Premna odorata Premna odorata Medicinal Plant
BXGF06037 Cotyledon secunda Cotyledon secunda Others
BXGF06227 Rauvolfia vomitoria Rauvolfia vomitoria Medicinal Plant
BXGF06237 Gnetum latifolium Gnetum latifolium 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