Showing entry for 5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrochromen-4-One


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042546
Compound Name5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-2,3-Dihydrochromen-4-One
Structure
FormulaC16H14O5
InchiKeyDJOJDHGQRNZXQQ-UHFFFAOYSA-N
SMILESCOc1cc2OC(CC(=O)c2c(c1)O)c1ccc(cc1)O
InchiInChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
IUPAC5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Molecular Weight286.08
Pubchem Id348130
Chembl IdCHEMBL74852
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 50049387
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 BXGT009437 Adenosine receptor A2a reviewed Adora2a 35481 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 3388 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 8128 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 8180 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 3400 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 35600 - - -
CHEMBL CHEMBL74852
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
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 12589 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 35600 nM
P29276 BXGT009329 Adenosine receptor A2b reviewed - Adora2b Ki '=' 35600 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 89125 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 56234 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 8180 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki '=' 3400 nM
P28647 BXGT009282 Adenosine receptor A3 reviewed - Adora3 Ratio '=' 2 -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ratio '=' 2 -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5623 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 31622 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 22387 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a pKi(uM) '=' -1 -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 pKi(uM) '=' 0 -
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 35600 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 35481 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 pKi(uM) '=' 0 -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 12589 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 20587 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 28183 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 28183 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 56234 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 39810 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 15848 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 50118 nM
Q15118 BXGT013540 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial reviewed Kinase PDK1 Inhibition '=' 1 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02700 Prunus pseudocerasus Prunus pseudocerasus 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