Detailed information for compound 957444

Basic information

Technical information
  • TDR Targets ID: 957444
  • Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxych roman-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: COc1cc2OC(c3ccc(cc3)O)C(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
  • InChiKey: LZLGHWHSUZVUFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one
  • 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-chromanone
  • Aromadendrin-7-monomethyl ether
  • 7-O-Methylaromadendrin

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

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Trypanocidal activity against Trypanosoma cruzi Y strain trypomastigotes infected in Swiss albino mouse blood assessed as reduction of parasitemia at 1000 ug/mL after 24 hrs relative to control ChEMBL. 9287419

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

No literature references available for this target.

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