Showing entry for thunberginol A


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017158
Compound Namethunberginol A
Structure
FormulaC15H10O5
InchiKeyWHZXJVJVGGWZQI-UHFFFAOYSA-N
SMILESOc1cc(ccc1O)c1cc2cccc(c2c(=O)o1)O
InchiInChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H
IUPAC3-(3,4-dihydroxyphenyl)-8-hydroxyisochromen-1-one
Molecular Weight270.05
Pubchem Id5321948
Chembl IdCHEMBL68810
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 CHEMBL68810
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
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES Inhibition '=' 17 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 17 %
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 44668 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 35481 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 16353 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 19952 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 19952 nM
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES Inhibition '=' 75 %
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 75 %
O14684 BXGT004082 Prostaglandin E synthase reviewed - PTGES Inhibition '=' 74 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 16360 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 70794 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 35481 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 79432 nM
P80244 BXGT011887 ATP-dependent Clp protease proteolytic subunit reviewed - clpP Potency - 31622 nM
P17405 BXGT008304 Sphingomyelin phosphodiesterase reviewed Enzyme SMPD1 Potency - 25118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 31622 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 7307 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 9200 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 9200 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 9200 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 3981 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 89125 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 35481 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 7304 nM
Q9H0H5 BXGT020436 Rac GTPase-activating protein 1 reviewed Enzyme modulator RACGAP1 IC50 - 19650 nM
P09917 BXGT006941 Arachidonate 5-lipoxygenase reviewed Enzyme ALOX5 Inhibition '=' 40 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF02911 Marchantia polymorpha Marchantia polymorpha Others
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