Detailed information for compound 870323

Basic information

Technical information
  • TDR Targets ID: 870323
  • Name: 3-acetyl-2-hydroxychromen-4-one
  • MW: 204.179 | Formula: C11H8O4
  • H donors: 1 H acceptors: 3 LogP: 1.84 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)c1c(O)oc2c(c1=O)cccc2
  • InChi: 1S/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,14H,1H3
  • InChiKey: XMHWONVKUWFJKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-acetyl-2-hydroxy-chromen-4-one
  • 3-acetyl-2-hydroxy-4-chromenone
  • 3-acetyl-2-hydroxy-chromone
  • 3-ethanoyl-2-hydroxy-chromen-4-one
  • 2555-37-5
  • EINECS 219-866-8
  • 3-Acetyl-4-hydroxy-2H-chromen-2-one
  • AIDS-124082
  • AIDS124082
  • NSC 11840
  • NSC11840
  • EU-0000648
  • 2H-1-benzopyran-2-one, 3-acetyl-4-hydroxy-
  • InChI=1/C11H8O4/c1-6(12)9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-5,13H,1H
  • ZINC00187290
  • ST5450894
  • 3-Acetyl-4-hydroxy-2-benzopyrone

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0462 0.0425
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1146 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0193 0.0155
Echinococcus granulosus lamin 0.0027 0.0112 0.0073
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0039 0.0039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.02 0.0831
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0462 0.0425
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.027 0.027
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0193 0.0155
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.02 0.0831
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0193 0.9575
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0112 0.0112
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0193 0.0155
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0426 0.3637 0.3612
Mycobacterium ulcerans beta-lactamase 0.0037 0.02 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.02 0.02
Brugia malayi intermediate filament protein 0.0027 0.0112 0.0112
Toxoplasma gondii fructose-bisphospatase I 0.0426 0.3637 0.3612
Echinococcus granulosus intermediate filament protein 0.0027 0.0112 0.0073
Mycobacterium tuberculosis Conserved protein 0.0037 0.02 0.0831
Schistosoma mansoni lamin 0.0027 0.0112 0.0073
Echinococcus multilocularis lamin 0.0027 0.0112 0.0073
Schistosoma mansoni lamin 0.0027 0.0112 0.0073
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0039 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.0193 0.0155
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0193 0.9575
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0462 0.0425
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.02 0.0161
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.02 0.0831
Onchocerca volvulus 0.0037 0.02 1
Echinococcus granulosus lamin dm0 0.0027 0.0112 0.0073
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.027 0.0232
Schistosoma mansoni hypothetical protein 0.0172 0.139 0.1356
Leishmania major hypothetical protein, conserved 0.0037 0.02 0.0161
Loa Loa (eye worm) inositol-1 0.0036 0.0193 0.0193
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0039 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0462 0.0425
Schistosoma mansoni inositol monophosphatase 0.0036 0.0193 0.0155
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0462 0.0425
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0193 0.0155
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0193 0.0155
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0112 0.0112
Plasmodium vivax hypothetical protein, conserved 0.0037 0.02 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0462 0.0462
Echinococcus granulosus fructose 16 bisphosphatase 1 0.1146 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.02 0.0161
Toxoplasma gondii ABC1 family protein 0.0037 0.02 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0108 0.0108
Mycobacterium ulcerans hypothetical protein 0.0037 0.02 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.02 0.0831
Mycobacterium ulcerans lipase LipD 0.0037 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.02 0.0831
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.02 1
Echinococcus multilocularis geminin 0.0172 0.139 0.1356
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.027 0.027
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1146 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.02 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.02 1
Trichomonas vaginalis esterase, putative 0.0037 0.02 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0193 0.9575
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Schistosoma mansoni hypothetical protein 0.0172 0.139 0.1356
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.027 0.0232
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0112 0.0112
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0426 0.3637 0.3612
Brugia malayi beta-lactamase family protein 0.0037 0.02 0.02
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.02 1
Brugia malayi Inositol-1 0.0036 0.0193 0.0193
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0193 0.0155
Loa Loa (eye worm) beta-lactamase 0.0037 0.02 0.02
Toxoplasma gondii fructose-bisphospatase II 0.1146 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1146 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.02 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0159 0.0621
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1146 1 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0462 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.02 0.0161
Loa Loa (eye worm) hypothetical protein 0.0027 0.0112 0.0112
Onchocerca volvulus 0.0037 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0193 1
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.1146 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.02 0.0831
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.02 0.0161
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.02 0.02
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.027 0.0232
Mycobacterium tuberculosis Conserved protein 0.0037 0.02 0.0831
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.02 1
Brugia malayi beta-lactamase family protein 0.0037 0.02 0.02
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.02 0.0831
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0462 0.0425
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Echinococcus granulosus geminin 0.0172 0.139 0.1356
Echinococcus multilocularis lamin dm0 0.0027 0.0112 0.0073
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0193 0.9575
Echinococcus multilocularis musashi 0.0027 0.0112 0.0073
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.027 0.0232
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1146 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.027 0.0232
Leishmania major 0.1146 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.1975 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.02 1
Brugia malayi beta-lactamase 0.0037 0.02 0.02
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.02 0.0161
Mycobacterium tuberculosis Conserved protein 0.0037 0.02 0.0831
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0426 0.3637 0.3612
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.02 0.0161
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0426 0.3637 0.3612
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.027 0.0232
Loa Loa (eye worm) hypothetical protein 0.0037 0.02 0.02
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0462 0.0425
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0193 0.0155
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0462 0.0462
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0039 0.5
Onchocerca volvulus 0.0037 0.02 1
Mycobacterium leprae Probable lipase LipE 0.0037 0.02 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.02 0.0161
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0213 0.0175
Schistosoma mansoni intermediate filament proteins 0.0027 0.0112 0.0073
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0193 0.3637
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0039 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.02 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.027 0.0232
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0213 0.0175

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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