Detailed information for compound 622881

Basic information

Technical information
  • TDR Targets ID: 622881
  • Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2 -hydroxy-5-methoxyphenyl)prop-2-en-1-one
  • MW: 312.317 | Formula: C18H16O5
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C(=O)C=Cc1ccc2c(c1)OCCO2)O
  • InChi: 1S/C18H16O5/c1-21-13-4-6-16(20)14(11-13)15(19)5-2-12-3-7-17-18(10-12)23-9-8-22-17/h2-7,10-11,20H,8-9H2,1H3/b5-2+
  • InChiKey: UMZBYPJNUUPJQM-GORDUTHDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one
  • 3-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-hydroxy-5-methoxy-phenyl)prop-2-en-1-one
  • (E)-3-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-hydroxy-5-methoxy-phenyl)prop-2-en-1-one
  • ZINC04070539
  • ST5411878

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 0.0336 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1163 0.1163
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0251 0.0258
Echinococcus multilocularis tar DNA binding protein 0.0128 0.3352 0.3352
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0396 0.0396
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0251 0.0251
Schistosoma mansoni bromodomain containing protein 0.0062 0.1243 0.1243
Toxoplasma gondii aminopeptidase N protein 0.0301 0.8874 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.41 0.5188
Schistosoma mansoni thyroid hormone receptor 0.003 0.0251 0.0251
Loa Loa (eye worm) glutaminase 0.0266 0.7768 1
Entamoeba histolytica hypothetical protein 0.0035 0.0396 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0805 0.0865
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0886 0.0316
Brugia malayi nuclear receptor NHR-88 0.003 0.0251 0.0258
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3352 0.3352
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0251 0.0258
Entamoeba histolytica hypothetical protein 0.0035 0.0396 0.5
Schistosoma mansoni glutaminase 0.0266 0.7768 0.7768
Loa Loa (eye worm) hypothetical protein 0.0028 0.0161 0.0021
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0251 0.0251
Schistosoma mansoni hypothetical protein 0.0103 0.2574 0.2574
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0251 0.0251
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.3352 0.4276
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0251 0.0251
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.3812 0.3871
Loa Loa (eye worm) hypothetical protein 0.0151 0.41 0.5188
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1163 0.1163
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3352 0.3352
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0886 0.0316
Echinococcus granulosus lamin 0.0028 0.0161 0.0161
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.8857 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0805 0.0975
Schistosoma mansoni hypothetical protein 0.0048 0.0805 0.0805
Onchocerca volvulus 0.003 0.0251 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.41 0.5245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0251 0.014
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0251 0.0251
Trichomonas vaginalis glutaminase, putative 0.0266 0.7768 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0251 0.0251
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0301 0.8874 1
Brugia malayi RNA binding protein 0.0128 0.3352 0.4276
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.8857 1
Entamoeba histolytica hypothetical protein 0.0035 0.0396 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0805 0.0975
Echinococcus granulosus GPCR family 2 0.0048 0.0805 0.0805
Brugia malayi hypothetical protein 0.0035 0.0396 0.0445
Brugia malayi hypothetical protein 0.005 0.0886 0.108
Brugia malayi TAR-binding protein 0.0128 0.3352 0.4276
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0396 0.0396
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0886 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3352 0.3352
Echinococcus multilocularis lamin dm0 0.0028 0.0161 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0251 0.0258
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0301 0.8874 1
Schistosoma mansoni hypothetical protein 0.0035 0.0396 0.0396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.3641 0.3641
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0251 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0251 0.014
Schistosoma mansoni coup transcription factor 0.003 0.0251 0.0251
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2574 0.3269
Schistosoma mansoni thyroid hormone receptor 0.003 0.0251 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0251 0.014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1132 0.1132
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0037 0.047 0.0426
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0251 1
Echinococcus multilocularis lamin 0.0028 0.0161 0.0161
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0251 0.014
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0251 0.0258
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0251 0.0258
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0805 0.0805
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0251 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0251 0.014
Loa Loa (eye worm) hypothetical protein 0.0041 0.0603 0.06
Brugia malayi Bromodomain containing protein 0.0073 0.1606 0.2014
Echinococcus granulosus intermediate filament protein 0.0028 0.0161 0.0161
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1163 0.0348
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0251 0.0251
Loa Loa (eye worm) TAR-binding protein 0.0128 0.3352 0.4207
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0251 0.0258
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0805 0.0805
Entamoeba histolytica hypothetical protein 0.0035 0.0396 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.3641 0.3641
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0251 0.0251
Brugia malayi glutaminase DH11.1 0.0266 0.7768 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0251 0.0258
Toxoplasma gondii aminopeptidase n, putative 0.0301 0.8874 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0543 0.0523
Schistosoma mansoni hypothetical protein 0.0048 0.0805 0.0805
Loa Loa (eye worm) hypothetical protein 0.0069 0.1474 0.1743
Loa Loa (eye worm) hypothetical protein 0.0103 0.2574 0.3187
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0251 0.0251
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.41 0.5245
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3812 0.3671
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0805 0.0805
Echinococcus granulosus FTZ F1 alpha 0.003 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Leishmania major mitochondrial DNA polymerase beta 0.03 0.8857 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.3641 0.3641
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0251 0.0251
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0251 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.3641 0.3641
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0394 0.0394
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0251 0.0251
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0396 0.0396
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0251 0.0251
Brugia malayi ecdysteroid receptor 0.003 0.0251 0.0258
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1163 0.1163
Loa Loa (eye worm) hypothetical protein 0.0048 0.0805 0.0865
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1132 0.1132
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0805 0.0805
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.3641 0.3641
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0251 0.0258
Brugia malayi nuclear hormone receptor 0.003 0.0251 0.0258
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0251 0.0251
Brugia malayi steroid hormone receptor 0.003 0.0251 0.0258
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.8857 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.3641 0.4585
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0251 0.0251
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3352 0.3352
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0251 0.0251
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.3641 0.3641
Loa Loa (eye worm) glutaminase 2 0.0266 0.7768 1
Toxoplasma gondii aminopeptidase N, putative 0.0301 0.8874 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Schistosoma mansoni hypothetical protein 0.0048 0.0805 0.0805
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1163 0.1163
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0394 0.0394
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0251 0.0251
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0251 0.014
Brugia malayi intermediate filament protein 0.0028 0.0161 0.0141
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0251 0.0251
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0886 0.0077
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0251 0.0258
Echinococcus multilocularis musashi 0.0028 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0336 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0886 0.0972
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.3352 0.4207
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Schistosoma mansoni lamin 0.0028 0.0161 0.0161
Schistosoma mansoni lamin 0.0028 0.0161 0.0161
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0251 0.0251
Mycobacterium ulcerans glutaminase 0.0266 0.7768 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Echinococcus granulosus lamin dm0 0.0028 0.0161 0.0161
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.3641 0.3641
Brugia malayi Bromodomain containing protein 0.0037 0.0468 0.0538
Schistosoma mansoni hypothetical protein 0.0048 0.0805 0.0805
Schistosoma mansoni intermediate filament proteins 0.0028 0.0161 0.0161
Brugia malayi hypothetical protein 0.0033 0.0317 0.0342
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0161 0.0021
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.3812 0.3871
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0251 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0251 0.0258
Schistosoma mansoni nuclear hormone receptor 0.003 0.0251 0.0251
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0921 0.0358
Echinococcus multilocularis GPCR, family 2 0.0048 0.0805 0.0805
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1163 0.0421
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0251 0.014
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0251 0.0258
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0251 0.0251
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0251 0.0251
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0161 0.0141
Echinococcus granulosus tar DNA binding protein 0.0128 0.3352 0.3352
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0251 0.0258
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.3641 0.465
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0251 0.0251
Mycobacterium ulcerans hypothetical protein 0.0158 0.4324 0.4786
Echinococcus multilocularis geminin 0.0336 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0251 0.014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0251 0.0251
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.4324 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.3352 0.4207
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0161 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0128 0.3352 0.3352
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0251 0.0251
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0251 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0251 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0251 0.0258
Loa Loa (eye worm) hypothetical protein 0.003 0.0251 0.014

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.
 
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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