Detailed information for compound 326854

Basic information

Technical information
  • TDR Targets ID: 326854
  • Name: 1,3-dihydroxy-4-methylxanthen-9-one
  • MW: 242.227 | Formula: C14H10O4
  • H donors: 2 H acceptors: 3 LogP: 3.17 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(O)c2c(c1C)oc1c(c2=O)cccc1
  • InChi: 1S/C14H10O4/c1-7-9(15)6-10(16)12-13(17)8-4-2-3-5-11(8)18-14(7)12/h2-6,15-16H,1H3
  • InChiKey: LETPFDPOVPABGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3-dihydroxy-4-methyl-xanthen-9-one
  • 1,3-dihydroxy-4-methyl-9-xanthenone
  • 1,3-dihydroxy-4-methyl-xanthone
  • 1,3-Dihydroxy-4-methyl-9H-xanthen-9-one
  • 9H-Xanthen-9-one, 1,3-dihydroxy-4-methyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase A 527 aa 474 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0259 0.0335
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0096 0.2001
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0259 0.0223
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Schistosoma mansoni DNA polymerase eta 0.002 0.0096 0.0068
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0228 0.6176 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0259 0.9841
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0263 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0096 0.2001
Echinococcus granulosus dna polymerase eta 0.002 0.0096 0.0068
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0096 0.0068
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0096 0.2001
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0096 0.0042
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0096 0.0372
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0096 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0259 0.9841
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0096 0.2001
Mycobacterium ulcerans oxidoreductase 0.0025 0.0259 0.0206
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0259 0.9841
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0096 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0096 0.2001
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0096 0.2001
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0228 0.6176 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0096 0.0068
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0263 1
Leishmania major DNA polymerase kappa, putative 0.002 0.0096 0.2001
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0259 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Echinococcus granulosus leukotriene A 4 hydrolase 0.0228 0.6176 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0263 1
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0259 0.0206
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0263 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0096 0.0045
Echinococcus multilocularis 0.0025 0.0259 0.0335
Echinococcus multilocularis dna polymerase eta 0.002 0.0096 0.0068
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0259 0.1005
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0096 0.0045
Giardia lamblia DINP protein human, muc B family 0.002 0.0096 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0054 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0259 0.9841
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0054 0.0211
Leishmania major UDP-galactopyranose mutase 0.0025 0.0259 0.9841
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0259 0.0223
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0263 1
Schistosoma mansoni amine oxidase 0.0025 0.0259 0.0335
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0259 0.9841
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Leishmania major DNA polymerase eta, putative 0.002 0.0096 0.2001
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0228 0.6176 1
Leishmania major hypothetical protein, conserved 0.0025 0.0263 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0096 0.0042
Mycobacterium ulcerans dehydrogenase 0.0025 0.0259 0.0206
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0259 0.9841
Echinococcus multilocularis dna polymerase kappa 0.002 0.0096 0.0068
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0259 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0096 0.2001
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0054 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0259 0.9841
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0259 0.9841
Brugia malayi SWIRM domain containing protein 0.0025 0.0259 0.1005
Brugia malayi hypothetical protein 0.0025 0.0263 0.1018
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0259 0.0335
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0096 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0259 0.5
Echinococcus granulosus dna polymerase kappa 0.002 0.0096 0.0068
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0263 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0096 0.0068
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0259 0.0335
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0259 0.9841
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0096 0.0372
Loa Loa (eye worm) hypothetical protein 0.002 0.0096 0.0068
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0096 0.2001
Trypanosoma brucei unspecified product 0.002 0.0096 0.2001
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Brugia malayi hypothetical protein 0.0105 0.2581 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0259 0.9841
Brugia malayi hypothetical protein 0.0025 0.0259 0.1005
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0259 0.9841
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0096 0.2001
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0096 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0335
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0096 0.0068
Onchocerca volvulus 0.0025 0.0259 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0096 0.2001
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0259 0.0206
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.9262 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0096 0.2001
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0259 0.0335
Schistosoma mansoni amine oxidase 0.0025 0.0259 0.0335
Loa Loa (eye worm) hypothetical protein 0.0025 0.0263 0.034
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0263 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0259 0.0335

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.3 uM Concentration required to inhibit monoamine oxidase activity by 50% ChEMBL. 15482934
IC50 (binding) = 4.3 uM Concentration required to inhibit monoamine oxidase activity by 50% ChEMBL. 15482934

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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