Detailed information for compound 990809

Basic information

Technical information
  • TDR Targets ID: 990809
  • Name: (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-m ethoxychroman-4-one
  • MW: 302.279 | Formula: C16H14O6
  • H donors: 3 H acceptors: 4 LogP: 2.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2O[C@H](c3ccc(cc3)O)[C@H](C(=O)c2c(c1)O)O
  • InChi: 1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16+/m0/s1
  • InChiKey: LZLGHWHSUZVUFZ-JKSUJKDBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
  • (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromanone
  • 37971-69-0
  • MEGxp0_000572
  • ACon1_000565

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
Brugia malayi MH1 domain containing protein 0.0059 0.0387 0.0387
Echinococcus granulosus glycogen phosphorylase 0.0445 0.4995 1
Loa Loa (eye worm) nuclear hormone receptor 0.0102 0.0908 0.0908
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0272 1
Echinococcus multilocularis glycogen phosphorylase 0.0445 0.4995 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0214 0.2239 0.4164
Brugia malayi Smad1 0.0059 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0214 0.2239 0.2239
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0272 1
Schistosoma mansoni hypothetical protein 0.0214 0.2239 0.3988
Echinococcus multilocularis glycogen phosphorylase 0.0445 0.4995 1
Schistosoma mansoni Smad4 0.0059 0.0387 0.0232
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.046 0.046
Brugia malayi Isocitrate dehydrogenase 0.0049 0.0272 0.0272
Loa Loa (eye worm) MH2 domain-containing protein 0.0059 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0033 0.0073 0.0073
Brugia malayi Latrophilin receptor protein 2 0.0214 0.2239 0.2239
Echinococcus multilocularis mothers against decapentaplegic 5 0.0059 0.0387 0.0243
Brugia malayi RNA binding protein 0.0065 0.046 0.046
Brugia malayi Steroid receptor seven-up type 2 0.0108 0.0977 0.0977
Schistosoma mansoni smad1 5 8 and 0.0059 0.0387 0.0232
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.0272 1
Schistosoma mansoni hypothetical protein 0.0214 0.2239 0.3988
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0676 0.7758 0.7758
Entamoeba histolytica glycogen phosphorylase, putative 0.0445 0.4995 1
Brugia malayi MH1 domain containing protein 0.0059 0.0387 0.0387
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.0272 1
Echinococcus granulosus GPCR family 2 0.0214 0.2239 0.4164
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0214 0.2239 0.4164
Loa Loa (eye worm) latrophilin receptor protein 2 0.0214 0.2239 0.2239
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0676 0.7758 0.7758
Brugia malayi MH1 domain containing protein 0.0033 0.0073 0.0073
Brugia malayi isocitrate dehydrogenase 0.0049 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0676 0.7758 0.7758
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.0272 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.0272 1
Loa Loa (eye worm) Smad1 0.0059 0.0387 0.0387
Echinococcus multilocularis tar DNA binding protein 0.0065 0.046 0.0397
Echinococcus granulosus Smad4 0.0059 0.0387 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0065 0.046 0.038
Loa Loa (eye worm) hypothetical protein 0.0462 0.5203 0.5203
Schistosoma mansoni smad1 5 8 and 0.0059 0.0387 0.0232
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0108 0.0977 0.1492
Schistosoma mansoni glycogen phosphorylase 0.0445 0.4995 0.9577
Schistosoma mansoni tar DNA-binding protein 0.0065 0.046 0.038
Echinococcus multilocularis smad 0.0059 0.0387 0.0243
Echinococcus granulosus tar DNA binding protein 0.0065 0.046 0.0397
Echinococcus granulosus Glycosyl transferase family 35 0.0445 0.4995 1
Schistosoma mansoni smad 0.0059 0.0387 0.0232
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.0272 0.0272
Schistosoma mansoni tar DNA-binding protein 0.0065 0.046 0.038
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.046 0.046
Chlamydia trachomatis glycogen phosphorylase 0.0445 0.4995 0.5
Schistosoma mansoni hypothetical protein 0.0462 0.5203 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0864 1 1
Brugia malayi carbohydrate phosphorylase 0.0445 0.4995 0.4995
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0214 0.2239 0.4164
Schistosoma mansoni smad1 5 8 and 0.0059 0.0387 0.0232
Schistosoma mansoni glycogen phosphorylase 0.0192 0.198 0.3463
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0214 0.2239 0.4164
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0059 0.0387 0.0232
Echinococcus multilocularis Smad4 0.0059 0.0387 0.0243
Echinococcus granulosus smad 0.0059 0.0387 0.0243
Giardia lamblia Glycogen phosphorylase 0.0445 0.4995 0.5
Schistosoma mansoni glycogen phosphorylase 0.0445 0.4995 0.9577
Loa Loa (eye worm) glycogen phosphorylase 0.0445 0.4995 0.4995
Entamoeba histolytica glycogen phosphorylase, putative 0.0445 0.4995 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0059 0.0387 0.0387
Echinococcus granulosus TGF beta signal transducer SmadC 0.0059 0.0387 0.0243
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0192 0.198 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0059 0.0387 0.0243
Trichomonas vaginalis glycogen phosphorylase, putative 0.0445 0.4995 0.5
Echinococcus multilocularis GPCR, family 2 0.0214 0.2239 0.4164
Loa Loa (eye worm) transcription factor SMAD2 0.0864 1 1
Brugia malayi MH1 domain containing protein 0.0033 0.0073 0.0073
Schistosoma mansoni tar DNA-binding protein 0.0065 0.046 0.038
Schistosoma mansoni hypothetical protein 0.0214 0.2239 0.3988
Brugia malayi Calcitonin receptor-like protein seb-1 0.0676 0.7758 0.7758
Onchocerca volvulus Glycogen phosphorylase homolog 0.0445 0.4995 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0445 0.4995 1
Schistosoma mansoni hypothetical protein 0.0214 0.2239 0.3988
Schistosoma mansoni tar DNA-binding protein 0.0065 0.046 0.038
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.0272 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0214 0.2239 0.2239
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0272 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0108 0.0977 0.1492
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0059 0.0387 0.0243
Loa Loa (eye worm) TAR-binding protein 0.0065 0.046 0.046
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0192 0.198 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0915 0.0915
Echinococcus granulosus glycogen phosphorylase 0.0445 0.4995 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.0272 1
Brugia malayi MH2 domain containing protein 0.0059 0.0387 0.0387
Brugia malayi MH2 domain containing protein 0.0059 0.0387 0.0387
Brugia malayi latrophilin 2 splice variant baaae 0.0462 0.5203 0.5203
Trichomonas vaginalis glycogen phosphorylase, putative 0.0445 0.4995 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.046 0.046
Brugia malayi TAR-binding protein 0.0065 0.046 0.046
Loa Loa (eye worm) nuclear factor I 0.0033 0.0073 0.0073

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activation of Nrf2 (unknown origin) expressed in CHO-ARE luc cells at 10 to 30 uM after 18 hrs by luciferase reporter gene assay ChEMBL. 24476568
Inhibition (functional) = 3 % Antiinflammatory activity against Swiss mouse assessed as inhibition of arachidonic acid-induced edema at 0.5 mg/ear applied 30 mins before arachidonic acid challenge measured after 1 hr ChEMBL. 10217718
Inhibition (functional) = 78 % Antiinflammatory activity against Swiss mouse assessed as inhibition of TPA-induced edema at 0.5 mg/ear applied simultaneously with TPA measured after 4 hrs ChEMBL. 10217718

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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