Detailed information for compound 2073071

Basic information

Technical information
  • TDR Targets ID: 2073071
  • Name: (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyph enyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2 -carboxylic acid
  • MW: 404.367 | Formula: C20H20O9
  • H donors: 6 H acceptors: 7 LogP: 1.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1cc(/C=C/c2ccc(cc2)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)cc(c1)O
  • InChi: 1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1
  • InChiKey: CDEBVTGYVFHDMA-OTPOQTMVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • .beta.-D-Glucopyranosiduronic acid, 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl
  • AIDS-223894
  • AIDS223894
  • Resveratrol metabolite 1

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 hypothetical protein 0.0112 0.1673 0.8575
Echinococcus granulosus histone lysine methyltransferase setb 0.0014 0.0116 0.0188
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.4474
Loa Loa (eye worm) glutaminase 2 0.013 0.1951 1
Plasmodium falciparum heat shock protein 90 0.0015 0.0136 0.1706
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Trypanosoma cruzi heat shock protein 90, putative 0.0015 0.0136 0.1783
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0014 0.0108 0.0136
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0437 0.2073
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0243 0.3734 1
Brugia malayi glutaminase DH11.1 0.013 0.1951 1
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0638 1 1
Leishmania major tyrosyl-tRNA synthetase, putative 0.0045 0.0596 0.9956
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0638 1 1
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.0045 0.0596 0.996
Giardia lamblia Tyrosyl-tRNA synthetase 0.0045 0.0596 0.9956
Brugia malayi TAR-binding protein 0.003 0.0369 0.1889
Echinococcus multilocularis musashi 0.0013 0.0094 0.0051
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0599 0.3229
Schistosoma mansoni tar DNA-binding protein 0.003 0.0369 0.1476
Entamoeba histolytica hypothetical protein 0.0034 0.0437 0.6513
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0014 0.0116 0.0188
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0027 0.0315 0.1435
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0437 0.2073
Brugia malayi RNA recognition motif domain containing protein 0.003 0.0369 0.1889
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0599 0.3229
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0243 0.3734 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0599 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0099 0.146 0.748
Brugia malayi Pre-SET motif family protein 0.0014 0.0116 0.0595
Plasmodium vivax tyrosine--tRNA ligase, putative 0.0045 0.0596 1
Schistosoma mansoni glutaminase 0.013 0.1951 1
Echinococcus granulosus heat shock protein 0.0015 0.0136 0.0314
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0599 1
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0437 0.7135
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Loa Loa (eye worm) TAR-binding protein 0.003 0.0369 0.1889
Echinococcus multilocularis tyrosyl tRNA synthetase 0.0079 0.1143 0.6656
Trypanosoma cruzi heat shock protein 85, putative 0.0012 0.0086 0.0897
Echinococcus granulosus lamin dm0 0.0013 0.0094 0.0051
Echinococcus multilocularis heat shock protein 90 0.0015 0.0136 0.0314
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Echinococcus granulosus tar DNA binding protein 0.003 0.0369 0.1779
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0599 1
Schistosoma mansoni methionyl-tRNA synthetase 0.0034 0.0437 0.1847
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0116 0.0117
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0116 0.0117
Giardia lamblia Methionyl-tRNA synthetase 0.0034 0.0437 0.6852
Entamoeba histolytica hypothetical protein 0.0034 0.0437 0.6513
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0034 0.0437 0.2212
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0437 0.2073
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Loa Loa (eye worm) intermediate filament protein 0.0013 0.0094 0.0484
Toxoplasma gondii heat shock protein HSP90 0.0015 0.0136 0.0416
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0136 0.1783
Loa Loa (eye worm) glutaminase 0.013 0.1951 1
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0045 0.0596 0.9951
Schistosoma mansoni tyrosyl-tRNA synthetase 0.0079 0.1143 0.5644
Echinococcus granulosus tyrosyl tRNA synthetase 0.0079 0.1143 0.6656
Schistosoma mansoni heat shock protein 0.0015 0.0136 0.0225
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0599 1
Toxoplasma gondii tRNA binding domain-containing protein 0.0034 0.0437 0.6689
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0136 0.1783
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0638 1 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0034 0.0437 0.6513
Echinococcus multilocularis lamin 0.0013 0.0094 0.0051
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0599 0.3229
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Brugia malayi Pre-SET motif family protein 0.0099 0.146 0.748
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.0045 0.0596 0.9951
Toxoplasma gondii tRNA synthetases class I family protein 0.0045 0.0596 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0034 0.0437 0.6689
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0437 0.2073
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0437 0.7135
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0027 0.0315 0.1445
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0599 0.2917
Brugia malayi RNA binding protein 0.003 0.0369 0.1889
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0599 0.3229
Schistosoma mansoni survival motor neuron protein 0.0023 0.0255 0.0863
Loa Loa (eye worm) hypothetical protein 0.0013 0.0091 0.0465
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0023 0.0255 0.1305
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0599 0.3068
Trichomonas vaginalis heat shock protein, putative 0.0015 0.0136 0.0496
Onchocerca volvulus 0.0027 0.0315 0.1398
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0014 0.0116 0.0117
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.0437 0.7135
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0034 0.0437 0.0354
Echinococcus granulosus intermediate filament protein 0.0013 0.0094 0.0051
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0599 0.2715
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0315 0.1191
Plasmodium falciparum tyrosine--tRNA ligase 0.0045 0.0596 1
Schistosoma mansoni hypothetical protein 0.0023 0.0255 0.0863
Echinococcus granulosus survival motor neuron protein 1 0.0112 0.1673 1
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0034 0.0437 0.6513
Brugia malayi Intermediate filament tail domain containing protein 0.0013 0.0094 0.0484
Schistosoma mansoni endoplasmin 0.0015 0.0136 0.0225
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0034 0.0437 0.2212
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0034 0.0437 0.7135
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0086 0.0235
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.4939
Trypanosoma cruzi heat shock protein 85, putative 0.0015 0.0136 0.1783
Plasmodium vivax heat shock protein 86, putative 0.0015 0.0136 0.0416
Loa Loa (eye worm) heat shock protein 90 0.0015 0.0136 0.0697
Leishmania major hypothetical protein 0.0034 0.0437 0.6852
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0599 0.2917
Brugia malayi intermediate filament protein 0.0013 0.0094 0.0484
Onchocerca volvulus 0.0014 0.0116 0.0137
Schistosoma mansoni tar DNA-binding protein 0.003 0.0369 0.1476
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0116 0.0117
Schistosoma mansoni tar DNA-binding protein 0.003 0.0369 0.1476
Toxoplasma gondii heat shock protein 90, putative 0.0015 0.0136 0.0416
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0027 0.0315 0.4152
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0034 0.0437 0.6852
Echinococcus granulosus heat shock protein 90 0.0015 0.0136 0.0314
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0599 0.2917
Brugia malayi methionyl-tRNA synthetase 0.0034 0.0437 0.2241
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0034 0.0437 0.6513
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0034 0.0437 0.2241
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.0045 0.0596 0.2906
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0027 0.0315 0.1445
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0599 0.3229
Plasmodium vivax endoplasmin, putative 0.0015 0.0136 0.0416
Loa Loa (eye worm) RNA binding protein 0.003 0.0369 0.1889
Loa Loa (eye worm) hypothetical protein 0.0013 0.0094 0.0484
Plasmodium vivax methionine-tRNA ligase, putative 0.0034 0.0437 0.6689
Brugia malayi heat shock protein 90 0.0015 0.0136 0.0697
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.3878
Mycobacterium ulcerans glutaminase 0.013 0.1951 0.1882
Echinococcus multilocularis survival motor neuron protein 1 0.0112 0.1673 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.497
Loa Loa (eye worm) hypothetical protein 0.0027 0.0315 0.1617
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0599 0.3229
Loa Loa (eye worm) hypothetical protein 0.0014 0.0116 0.0595
Loa Loa (eye worm) endoplasmin 0.0015 0.0136 0.0697
Trichomonas vaginalis set domain proteins, putative 0.0113 0.1676 0.856
Echinococcus granulosus lamin 0.0013 0.0094 0.0051
Schistosoma mansoni tar DNA-binding protein 0.003 0.0369 0.1476
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0027 0.0315 0.0231
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0014 0.0116 0.0188
Leishmania major hypothetical protein, conserved 0.0034 0.0437 0.6852
Schistosoma mansoni endoplasmin 0.0015 0.0136 0.0225
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0599 1
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0034 0.0437 0.0354
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.003 0.0369 0.1889
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Loa Loa (eye worm) hypothetical protein 0.0045 0.0599 0.3068
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0315 0.1191
Schistosoma mansoni heat shock protein 0.0015 0.0136 0.0225
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Trypanosoma cruzi Heat shock protein 83, putative 0.0015 0.0136 0.1783
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Trichomonas vaginalis glutaminase, putative 0.013 0.1951 1
Leishmania major heat shock protein 83-1 0.0015 0.0136 0.0974
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0027 0.0315 0.4152
Trypanosoma cruzi heat shock protein 90, putative 0.0012 0.0086 0.0897
Onchocerca volvulus 0.0023 0.0255 0.1013
Treponema pallidum methionyl-tRNA synthetase 0.0034 0.0437 0.0963
Echinococcus multilocularis lamin dm0 0.0013 0.0094 0.0051
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0086 0.0235
Giardia lamblia Heat shock protein HSP 90-alpha 0.0015 0.0136 0.0974
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0034 0.0437 0.0354
Trichomonas vaginalis heat shock protein, putative 0.0012 0.0086 0.0235
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0027 0.0315 0.1617
Brugia malayi Endoplasmin precursor 0.0015 0.0136 0.0697
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0034 0.0437 0.2073
Schistosoma mansoni tar DNA-binding protein 0.003 0.0369 0.1476
Onchocerca volvulus 0.0113 0.1676 1
Echinococcus multilocularis tar DNA binding protein 0.003 0.0369 0.1779
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0013 0.0094 0.0484
Plasmodium falciparum tRNA import protein tRIP 0.0034 0.0437 0.7135
Echinococcus multilocularis heat shock protein 0.0015 0.0136 0.0314
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0027 0.0315 0.4474
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.497
Loa Loa (eye worm) hypothetical protein 0.0112 0.1673 0.8575
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0599 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0599 0.2715
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0027 0.0315 0.3878

Activities

Activity type Activity value Assay description Source Reference
T1/2 (ADMET) = 14.11 min Terminal half life in C57BL/6 mouse treated with 15 mg/kg of trans-3,5,4'-Trihydroxystilbene [trans-resveratrol] administered intraarterially by LC-MS/MS analysis ChEMBL. 22807110

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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