Showing entry for Bisdemethoxycurcumin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005721
Compound NameBisdemethoxycurcumin
Structure
FormulaC19H16O4
InchiKeyYXAKCQIIROBKOP-HSSGTREWSA-N
SMILESO\C(\C=C\C1=CC=C(O)C=C1)=C/C(=O)/C=C/C1=CC=C(O)C=C1
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/h1-13,20-22H/b11-5+,12-6+,18-13-
IUPAC(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Molecular Weight308.33
Pubchem Id5324473
Chembl IdCHEMBL131770
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 50145907
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 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - 8390 - -
reviewed BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - 2540 - -
CHEMBL CHEMBL131770
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
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 31622 nM
Q932Y6 BXGT019466 Beta-lactamase unreviewed - bla(tem-2) IC50 '=' 5133 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 31622 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 28183 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 56234 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 25118 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Potency - 25929 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 25118 nM
P49841 BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B IC50 '=' 8390 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 Inhibition '=' 9 %
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 31622 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 31622 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 31622 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q9NR96 BXGT021181 Toll-like receptor 9 reviewed - TLR9 IC50 '=' 9767 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 25929 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 14125 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 2667 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q99816 BXGT019966 Tumor susceptibility gene 101 protein reviewed Enzyme TSG101 Potency - 44668 nM
P11308 BXGT007684 Transcriptional regulator ERG reviewed Transcription factor ERG Potency - 3548 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 31622 nM
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 2540 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
BXGF00818 Herbs and Spices Herbs and Spices
BXGF03733 Alpinia officinarum Alpinia officinarum Medicinal Plant
BXGF03980 Curcuma aromatica Curcuma aromatica Medicinal Plant
BXGF04173 Curcuma wenyujin Curcuma wenyujin Others
BXGF05934 Curcuma zedoaria Curcuma zedoaria 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