Showing entry for Butein


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000016
Compound NameButein
Structure
FormulaC15H12O5
InchiKeyAYMYWHCQALZEGT-ORCRQEGFSA-N
SMILES[H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1
InchiInChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
IUPAC(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Molecular Weight272.25
Pubchem Id5281222
Chembl IdCHEMBL128000
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 BUN
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
P9WFK1 BXGT012244 UPF0336 protein Rv0635 reviewed Rv0635 - - - - -
Binding DB 50042949
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 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - 2370 - -
reviewed BXGT007824 Arachidonate 5-lipoxygenase reviewed Alox5 - 4.6 - -
reviewed BXGT007850 Angiotensin-converting enzyme reviewed ACE - 730000000 - -
reviewed BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR - 8000 - -
reviewed BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC - 65000 - -
reviewed BXGT011911 Xanthine dehydrogenase/oxidase reviewed XDH - 1300 - -
reviewed BXGT007850 Angiotensin-converting enzyme reviewed ACE - 730 - -
reviewed BXGT007850 Angiotensin-converting enzyme reviewed ACE - 730000 - -
reviewed BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 - 120000 - -
reviewed BXGT007320 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI reviewed fabI - 30000 - -
reviewed BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR - 16000 - -
reviewed BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 - - 100000 -
CHEMBL CHEMBL128000
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
P0AEK4 BXGT007320 Enoyl-[acyl-carrier-protein] reductase [NADH] FabI reviewed - fabI IC50 '=' 30000 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 44668 nM
P12527 BXGT007824 Arachidonate 5-lipoxygenase reviewed - Alox5 IC50 '=' 4 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI IC50 '=' 12500 nM
P24941 BXGT009002 Cyclin-dependent kinase 2 reviewed Kinase CDK2 Kd '=' 100000 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 5500 nM
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Inhibition '=' 3 %
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE IC50 '=' 730000 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 2970 nM
Q9YQ12 BXGT022394 Protease unreviewed - protease Inhibition '=' 50 %
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 '=' 16000 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC Inhibition '=' 9 %
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 120000 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 120000 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 0 %
P11362 BXGT007693 Fibroblast growth factor receptor 1 reviewed Kinase FGFR1 Inhibition '=' 68 %
P35968 BXGT009887 Vascular endothelial growth factor receptor 2 reviewed Kinase KDR Inhibition '=' 48 %
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 10000 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 20000 nM
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE IC50 '=' 730 nM
P21802 BXGT008691 Fibroblast growth factor receptor 2 reviewed Kinase FGFR2 Inhibition '=' 3 %
P08581 BXGT006794 Hepatocyte growth factor receptor reviewed Kinase MET Inhibition '=' 81 %
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 19952 nM
P10721 BXGT007605 Mast/stem cell growth factor receptor Kit reviewed Kinase KIT Inhibition '=' 15 %
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR IC50 '=' 8000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 87 %
P12822 BXGT007850 Angiotensin-converting enzyme reviewed - ACE IC50 '=' 730000000 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC50 '=' 38000 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC50 '=' 38000 nM
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 IC50 '=' 38000 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Ki '=' 14 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 17782 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 17782 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC IC50 '=' 65000 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 10 %
Q63921 BXGT016082 Prostaglandin G/H synthase 1 reviewed - Ptgs1 IC50 '=' 4 nM
P35355 BXGT009817 Prostaglandin G/H synthase 2 reviewed - Ptgs2 IC50 '=' 4 nM
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 450 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 19952 nM
Q9Z1B7 BXGT022403 Mitogen-activated protein kinase 13 reviewed - Mapk13 FC '=' 0 -
Q9WUI1 BXGT021940 Mitogen-activated protein kinase 11 reviewed - Mapk11 FC '=' 0 -
O08911 BXGT004043 Mitogen-activated protein kinase 12 reviewed - Mapk12 FC '=' 0 -
P47811 BXGT010587 Mitogen-activated protein kinase 14 reviewed - Mapk14 FC '=' 0 -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 21192 nM
P37059 BXGT009957 Estradiol 17-beta-dehydrogenase 2 reviewed Enzyme HSD17B2 IC50 '=' 7300 nM
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH IC50 '=' 1300 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00197 Broad bean Vicia faba Pulses
BXGF01539 Euphrasia stricta Euphrasia stricta Others
BXGF02155 Chrysanthemum uliginosum Chrysanthemum uliginosum Others
BXGF02311 Cirsium chinense Cirsium chinense Medicinal Plant
BXGF02626 Dalbergia odorifera Dalbergia odorifera Medicinal Plant
BXGF02940 Conyza japonica Conyza japonica Medicinal Plant
BXGF03346 Dendrobium candidum Dendrobium candidum Others
BXGF03442 Rhaponticum carthamoides Rhaponticum carthamoides Medicinal Plant
BXGF03672 Erysimum siliculosum Erysimum siliculosum Others
BXGF04062 Spatholobus suberectus Spatholobus suberectus Medicinal Plant
BXGF04263 Glycine soja Glycine soja Medicinal Plant
BXGF04301 Dorstenia dinklagei Dorstenia dinklagei Others
BXGF04328 Croton zehntneri Croton zehntneri Others
BXGF04607 Morus alba Morus alba Medicinal Plant
BXGF04772 Sapium haematospermum Sapium haematospermum Medicinal Plant
BXGF05127 Robinia pseudoacacia Robinia pseudoacacia Medicinal Plant
BXGF05367 Toxicodendron vernicifluum Toxicodendron vernicifluum Medicinal Plant
BXGF05631 Turpinia arguta Turpinia arguta Others
BXGF05720 Camchaya loloana Camchaya loloana Others
BXGF06115 Kaempferia rotunda Kaempferia rotunda 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