Showing entry for Emodic Acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038895
Compound NameEmodic Acid
Structure
FormulaC15H8O7
InchiKeyZJXVNNSMRGTDBI-UHFFFAOYSA-N
SMILESOc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O
InchiInChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
IUPAC4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
Molecular Weight300.03
Pubchem Id361510
Chembl IdCHEMBL290914
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 115127
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 BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 4190 - -
reviewed BXGT005130 PC4 and SFRS1-interacting protein reviewed Signaling PSIP1 - 4415 - -
reviewed BXGT006969 Accessory gene regulator protein A reviewed agrA - 30600 - -
CHEMBL CHEMBL290914
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
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 22387 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 17782 nM
P0A0I7 BXGT006969 Accessory gene regulator protein A reviewed - agrA IC50 '=' 30600 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 72 %
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 21331 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 15848 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 50118 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR 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
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency '=' 14125 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 29934 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 56234 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3981 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 14125 nM
P00766 BXGT005647 Chymotrypsinogen A reviewed - Inhibition '=' 3 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 22387 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 56234 nM
P08246 BXGT006756 Neutrophil elastase reviewed Enzyme ELANE Inhibition '=' 21 %
P14618 BXGT008027 Pyruvate kinase PKM reviewed Kinase PKM Potency '=' 17782 nM
Q07820 BXGT012942 Induced myeloid leukemia cell differentiation protein Mcl-1 reviewed Signaling MCL1 Activity - - -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 6309 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 10000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 19952 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 8912 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 25118 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 6309 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 2511 nM
Q14191 BXGT013452 Werner syndrome ATP-dependent helicase reviewed Enzyme WRN Potency - 63095 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Activity - - -
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 79432 nM
P07378 BXGT006616 Phosphoglycerate kinase, glycosomal reviewed - Potency - 17782 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 7943 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 28183 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 28183 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
P08311 BXGT006762 Cathepsin G reviewed Enzyme CTSG Inhibition '=' 14 %
P08419 BXGT006770 Chymotrypsin-like elastase family member 2A reviewed - CELA2A Inhibition '=' 9 %
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 35481 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
Q94696 BXGT019553 Luciferase unreviewed - luc Potency '=' 17782 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 12589 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 17782 nM
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 50118 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 60119 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 31622 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 50118 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 6012 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 21192 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 150 %
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 20596 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 12589 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 14581 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 7943 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04231 Andrographis neesiana Andrographis neesiana Others
BXGF04244 Coreopsis tinctoria Coreopsis tinctoria Medicinal Plant
BXGF04665 Magnolia ovata Magnolia ovata 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