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

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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