Detailed information for compound 545015

Basic information

Technical information
  • TDR Targets ID: 545015
  • Name: 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3 ,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-tr ihydroxy-6-(hydroxymethyl)tetrahydropyran-2-y l]oxymethyl]tetrahydropyran-2-yl]oxy-xanthen- 9-one
  • MW: 598.507 | Formula: C26H30O16
  • H donors: 9 H acceptors: 10 LogP: -1.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccc(c4c3c(=O)c3c(o4)cc(cc3O)OC)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C26H30O16/c1-37-8-4-10(29)15-12(5-8)39-24-9(28)2-3-11(16(24)19(15)32)40-26-23(36)21(34)18(31)14(42-26)7-38-25-22(35)20(33)17(30)13(6-27)41-25/h2-5,13-14,17-18,20-23,25-31,33-36H,6-7H2,1H3/t13-,14-,17-,18-,20+,21+,22-,23-,25-,26-/m1/s1
  • InChiKey: FUGLBEBIZNJPSY-MYDOPKHDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,5-dihydroxy-3-methoxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-9-xanthenone
  • 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-xanthen-9-one
  • 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-xanthone
  • 1,5-dihydroxy-3-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one
  • swertiapuniside
  • 143986-29-2
  • 1,5,8-Trihydroxy-3-methoxyxanthone-8-O-beta-D-glucopyranosyl(1-6)-O-beta-D-glucopyranoside
  • 9H-Xanthen-9-one, 8-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-1,5-dihydroxy-3-methoxy-

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
Trichomonas vaginalis set domain proteins, putative 0.0476 0.6923 0.8033
Loa Loa (eye worm) hypothetical protein 0.0082 0.0795 0.0912
Schistosoma mansoni TRABID protein (C64 family) 0.0207 0.2745 0.2745
Schistosoma mansoni bromodomain containing protein 0.0127 0.1499 0.1499
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0167 0.0179
Schistosoma mansoni hypothetical protein 0.0207 0.2745 0.2745
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0069 0.0069
Onchocerca volvulus 0.0207 0.2745 0.3188
Echinococcus multilocularis chromobox protein 1 0.0072 0.0641 0.0589
Loa Loa (eye worm) hypothetical protein 0.004 0.0149 0.0158
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0419 0.6024 0.7015
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0207 0.2745 0.2818
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0583 0.8581 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0583 0.8581 0.8573
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.012 0.1387 0.134
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0207 0.2745 0.3143
Brugia malayi Bromodomain containing protein 0.0151 0.1865 0.211
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.0987 0.0938
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0323 0.0298
Schistosoma mansoni hypothetical protein 0.0042 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0484 0.0484
Onchocerca volvulus 0.0207 0.2745 0.3188
Echinococcus multilocularis chromobox protein 1 0.0072 0.0641 0.0589
Echinococcus granulosus chromobox protein 1 0.0072 0.0641 0.0589
Loa Loa (eye worm) hypothetical protein 0.0207 0.2745 0.3188
Echinococcus multilocularis SWI:SNF matrix associated 0.0583 0.8581 0.8573
Schistosoma mansoni hypothetical protein 0.0583 0.8581 0.8581
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0583 0.8581 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0055 0.0055
Echinococcus granulosus ring and YY1 binding protein 0.0207 0.2745 0.2705
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0645 0.0593
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0055 0.0055
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0207 0.2745 1
Brugia malayi Pre-SET motif family protein 0.0419 0.6024 0.6996
Schistosoma mansoni brg-1 associated factor 0.0583 0.8581 0.8581
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0207 0.2745 0.3143
Brugia malayi SWIB/MDM2 domain containing protein 0.0583 0.8581 1
Schistosoma mansoni RNA binding protein 0.0207 0.2745 0.2745
Echinococcus granulosus Zinc finger RanBP2 type 0.0207 0.2745 0.2705
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0197 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0484 0.0484
Schistosoma mansoni fusion 0.0207 0.2745 0.2745
Brugia malayi TAR-binding protein 0.0062 0.0484 0.0487
Loa Loa (eye worm) hypothetical protein 0.0077 0.0721 0.0825
Chlamydia trachomatis SWIB complex protein 0.0583 0.8581 0.5
Brugia malayi PHD-finger family protein 0.005 0.03 0.0271
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0207 0.2745 0.3188
Loa Loa (eye worm) hypothetical protein 0.0207 0.2745 0.3188
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0207 0.2745 0.3143
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.0987 0.0938
Brugia malayi Pre-SET motif family protein 0.006 0.0455 0.0453
Onchocerca volvulus 0.0476 0.6923 0.8064
Leishmania major hypothetical protein, conserved 0.0207 0.2745 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.0987 0.0987
Onchocerca volvulus 0.0207 0.2745 0.3188
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0641 0.0583
Schistosoma mansoni chromobox protein 0.0072 0.0641 0.0641
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0207 0.2745 0.3143
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0207 0.2745 0.2705
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0207 0.2745 1
Leishmania major hypothetical protein, conserved 0.0207 0.2745 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0207 0.2745 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0207 0.2745 1
Brugia malayi brahma associated protein 60 kDa 0.0583 0.8581 1
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.0641 0.0732
Leishmania major hypothetical protein, conserved 0.0207 0.2745 1
Echinococcus granulosus zinc finger protein 0.0039 0.0134 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2745 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0583 0.8581 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0455 0.0455
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2745 1
Echinococcus multilocularis ring and YY1 binding protein 0.0207 0.2745 0.2705
Chlamydia trachomatis DNA topoisomerase I 0.0583 0.8581 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0074 0.007
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0484 0.0431
Loa Loa (eye worm) brahma associated protein 0.0583 0.8581 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0207 0.2745 1
Toxoplasma gondii ran binding protein 0.0207 0.2745 0.2818
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0207 0.2745 0.2705
Schistosoma mansoni zinc finger protein 0.0207 0.2745 0.2745
Schistosoma mansoni chromobox protein 0.0072 0.0641 0.0641
Schistosoma mansoni hypothetical protein 0.0583 0.8581 0.8581
Brugia malayi RNA binding protein 0.0062 0.0484 0.0487
Onchocerca volvulus 0.0072 0.0638 0.0728
Echinococcus multilocularis SWI:SNF matrix associated 0.0583 0.8581 0.8573
Echinococcus multilocularis SWI:SNF matrix associated 0.0583 0.8581 0.8573
Trypanosoma cruzi WLM domain containing protein, putative 0.0207 0.2745 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0226 0.0172
Loa Loa (eye worm) hypothetical protein 0.0207 0.2745 0.3188
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.2745 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.042 0.0368
Trichomonas vaginalis conserved hypothetical protein 0.0583 0.8581 1
Schistosoma mansoni hypothetical protein 0.0583 0.8581 0.8581
Trichomonas vaginalis chromobox protein, putative 0.0072 0.0641 0.0583
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0197 0.0214
Loa Loa (eye worm) hypothetical protein 0.0052 0.0323 0.0361
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0583 0.8581 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0323 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.0987 0.0987
Brugia malayi Heterochromatin protein 1 0.0072 0.0641 0.0671
Brugia malayi YY1-associated factor 2 0.0207 0.2745 0.3143
Loa Loa (eye worm) hypothetical protein 0.0086 0.0854 0.0981
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0484 0.0487
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0645 0.0593
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0583 0.8581 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.2745 0.3188
Brugia malayi brahma associated protein 60 kDa 0.0583 0.8581 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0484 0.0549
Loa Loa (eye worm) hypothetical protein 0.0207 0.2745 0.3188
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0072 0.0638 0.0638
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.012 0.1387 0.134
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0583 0.8581 0.8573
Loa Loa (eye worm) hypothetical protein 0.0094 0.0987 0.1137
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0149 0.0158
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0207 0.2745 1
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0455 0.0402
Leishmania major hypothetical protein, conserved 0.0207 0.2745 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0484 0.0484
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0197 0.0056
Brugia malayi chromobox protein homolog 3 0.004 0.0149 0.0094
Echinococcus granulosus tar DNA binding protein 0.0062 0.0484 0.0431
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0226 0.0172
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0207 0.2745 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0484 0.0484
Onchocerca volvulus 0.0207 0.2745 0.3188
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0484 0.0484
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0484 0.0549
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0226 0.0226
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0207 0.2745 1
Echinococcus multilocularis zinc finger protein 0.0039 0.0134 0.0079
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0323 0.0361
Schistosoma mansoni zinc finger protein 0.0039 0.0134 0.0134
Echinococcus granulosus SWI:SNF matrix associated 0.0583 0.8581 0.8573
Leishmania major hypothetical protein, conserved 0.0207 0.2745 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0207 0.2745 0.2705
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2745 1
Echinococcus granulosus chromobox protein 1 0.0072 0.0641 0.0589
Loa Loa (eye worm) RNA binding protein 0.0062 0.0484 0.0549
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0207 0.2745 0.2705
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0583 0.8581 1
Plasmodium vivax hypothetical protein, conserved 0.0583 0.8581 1
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.2745 1
Brugia malayi Bromodomain containing protein 0.0077 0.0719 0.0763
Echinococcus granulosus zinc finger protein Ran binding 0.0207 0.2745 0.2705
Loa Loa (eye worm) hypothetical protein 0.0142 0.1732 0.2005
Onchocerca volvulus 0.0583 0.8581 1

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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