Showing entry for Bisdemethoxycurcumin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0049358
Compound NameBisdemethoxycurcumin
Structure
FormulaC19H16O4
InchiKeyPREBVFJICNPEKM-YDWXAUTNSA-N
SMILESO=C(CC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)O
InchiInChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
IUPAC(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Molecular Weight308.1
Pubchem Id5315472
Chembl IdCHEMBL105350
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 CHEMBL105350
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
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 75 %
P26358 BXGT009104 DNA (cytosine-5)-methyltransferase 1 reviewed Epigenetic regulator DNMT1 Activity - - -
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 120000 nM
P06786 BXGT006505 DNA topoisomerase 2 reviewed - TOP2 Activity - - -
P43071 BXGT010352 Multidrug resistance protein CDR1 reviewed - CDR1 IC50 '=' 40000 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '>' 100000 nM
Q04760 BXGT012782 Lactoylglutathione lyase reviewed - GLO1 Ki '=' 18000 nM
P04786 BXGT006262 DNA topoisomerase 1 reviewed - TOP1 Activity - - -
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 80000 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 36370 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 41 %
P15840 BXGT008161 CPG DNA methylase reviewed - sssIM IC50 '=' 30 nM
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Inhibition - - -
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Inhibition - - -
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Inhibition - - -
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Inhibition - - -
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 Inhibition '=' 33 %
O60218 BXGT004858 Aldo-keto reductase family 1 member B10 reviewed Enzyme AKR1B10 IC50 '=' 60 nM
P15121 BXGT008083 Aldo-keto reductase family 1 member B1 reviewed Enzyme AKR1B1 IC50 '=' 5100 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 2 %
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Inhibition - - -
Q9UQM7 BXGT021814 Calcium/calmodulin-dependent protein kinase type II subunit alpha reviewed Kinase CAMK2A IC50 '=' 37000 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 100000 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 7 %
Q04760 BXGT012782 Lactoylglutathione lyase reviewed - GLO1 Ki '=' 18200 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '=' 18270 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Activity - - -
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Activity - - -
Q15796 BXGT013599 Mothers against decapentaplegic homolog 2 reviewed Transcription factor SMAD2 Inhibition - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00068 Turmeric Curcuma longa Herbs and Spices
BXGF02616 Curcuma phaeocaulis Curcuma phaeocaulis Others
BXGF03536 Curcuma kwangsiensis Curcuma kwangsiensis Medicinal Plant
BXGF03970 Goniothalamus borneensis Goniothalamus borneensis Others
BXGF04173 Curcuma wenyujin Curcuma wenyujin Others
BXGF05024 Jacobaea maritima Jacobaea maritima Others
BXGF05383 Alpinia galanga Alpinia galanga Medicinal Plant
BXGF05816 Fraxinus quadrangulata Fraxinus quadrangulata Medicinal Plant
BXGF05934 Curcuma zedoaria Curcuma zedoaria Medicinal Plant
BXGF06181 Adiantum capillus-veneris Adiantum capillus-veneris 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