Showing entry for Demethoxycurcumin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0024813
Compound NameDemethoxycurcumin
Structure
FormulaC20H18O5
InchiKeyUEPVWRDHSPMIAZ-IZTHOABVSA-N
SMILESCOc1cc(/C=C/C(=C/C(=O)/C=C/c2ccc(cc2)O)/O)ccc1O
InchiInChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13-
IUPAC(1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Molecular Weight338.12
Pubchem Id5324476
Chembl IdCHEMBL179512
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 CHEMBL179512
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
P05186 BXGT006338 Alkaline phosphatase, tissue-nonspecific isozyme reviewed Enzyme ALPL IC50 '>' 100000 nM
P15840 BXGT008161 CPG DNA methylase reviewed - sssIM IC50 '=' 30 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 3162 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 140000 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 17782 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 28183 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 2667 nM
Q15796 BXGT013599 Mothers against decapentaplegic homolog 2 reviewed Transcription factor SMAD2 Inhibition - - -
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 31622 nM
P26358 BXGT009104 DNA (cytosine-5)-methyltransferase 1 reviewed Epigenetic regulator DNMT1 Activity - - -
P09923 BXGT006942 Intestinal-type alkaline phosphatase reviewed Enzyme ALPI IC50 '>' 100000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 17782 nM
P43071 BXGT010352 Multidrug resistance protein CDR1 reviewed - CDR1 IC50 '=' 45000 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 21360 nM
P24822 BXGT008996 Intestinal-type alkaline phosphatase reviewed - Iap IC50 '=' 8380 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 120000 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 25118 nM
Q9UQM7 BXGT021814 Calcium/calmodulin-dependent protein kinase type II subunit alpha reviewed Kinase CAMK2A IC50 '=' 24000 nM
P05979 BXGT006400 Prostaglandin G/H synthase 1 reviewed - PTGS1 Inhibition '=' 67 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 '=' 37740 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 70794 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 11220 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 31622 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 31622 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 39810 nM
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 Inhibition '=' 31 %
P04786 BXGT006262 DNA topoisomerase 1 reviewed - TOP1 Activity - - -
P06786 BXGT006505 DNA topoisomerase 2 reviewed - TOP2 Activity - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Inhibition - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 29081 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 15848 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 35481 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 35481 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 35481 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 17782 nM
P10696 BXGT007603 Alkaline phosphatase, germ cell type reviewed Enzyme ALPG IC50 '>' 100000 nM
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 IC50 '=' 9127 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 14125 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 14125 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' 35 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 18356 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 - - -
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P21860 BXGT008698 Receptor tyrosine-protein kinase erbB-3 reviewed Kinase ERBB3 Inhibition - - -
Q15303 BXGT013557 Receptor tyrosine-protein kinase erbB-4 reviewed Kinase ERBB4 Inhibition - - -
P00533 BXGT005575 Epidermal growth factor receptor reviewed Kinase EGFR Inhibition - - -
P04626 BXGT006238 Receptor tyrosine-protein kinase erbB-2 reviewed Kinase ERBB2 Inhibition - - -
Q932Y6 BXGT019466 Beta-lactamase unreviewed - bla(tem-2) IC50 '=' 8095 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 20596 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT Activity - - -
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 1600000 nM
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
BXGF05071 Zingiber spectabile Zingiber spectabile Human Edible 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