Showing entry for Isothymonin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0011280
Compound NameIsothymonin
Structure
FormulaC18H16O8
InchiKeyCSDGLNFYKPCMSZ-UHFFFAOYSA-N
SMILESCOC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O1)C(O)=C(OC)C(OC)=C2O
InchiInChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)17(24-2)18(25-3)15(22)16(13)26-11/h4-7,19,21-22H,1-3H3
IUPAC5,8-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Molecular Weight360.31
Pubchem Id11726019
Chembl IdCHEMBL463563
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 52759
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 BXGT022194 Zinc finger protein mex-5 reviewed mex-5 - - - 7076
reviewed BXGT020189 Serine/threonine-protein kinase 33 reviewed Kinase STK33 - - - 9681
reviewed BXGT010750 Glycogen synthase kinase-3 beta reviewed Kinase GSK3B - - - 24860
reviewed BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD - >80000 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 5223 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 4964 - -
CHEMBL CHEMBL463563
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
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 5011 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 2818 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 6012 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 14125 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 8912 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 14125 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 11220 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 16360 nM
Q9BHT9 BXGT020096 Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase unreviewed - G6PD-6PGL IC50 '=' 40300 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 19952 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 19952 nM
Q9BHT9 BXGT020096 Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase unreviewed - G6PD-6PGL IC50 '=' 8950 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 Inhibition '=' 37 %
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 19011 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 19952 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 4466 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 7079 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 7079 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 22387 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 892 nM
P11413 BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD IC50 '>' 80000 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 2238 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 28183 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q57TT1 BXGT015153 Uncharacterized protein unreviewed - Tb927.8.6820 Potency - 3981 nM
O15648 BXGT004185 ATP-dependent 6-phosphofructokinase reviewed - pfk Potency - 9528 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 33807 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 22387 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 5011 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 56234 nM
Q9BHT9 BXGT020096 Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase unreviewed - G6PD-6PGL IC50 '>' 80000 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 56234 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 25118 nM
G5EF15 BXGT003524 Cytoplasmic zinc-finger protein unreviewed - pos-1 EC50 '=' 48026 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 56234 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 56234 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q9XUB2 BXGT022194 Zinc finger protein mex-5 reviewed - mex-5 EC50 '=' 7076 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 12589 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 7519 nM
P03070 BXGT006016 Large T antigen reviewed - IC50 - 6770 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 26854 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
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