TDR Targets

Basic information

Technical information

TDR Targets ID: 1733874
Name: 3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7 -[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3 R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-y l]oxymethyl]oxan-2-yl]oxychromen-4-one
MW: 624.544 | Formula: C28H32O16
H donors: 9 H acceptors: 10 LogP: -0.96 Rotable bonds: 7
Rule of 5 violations (Lipinski): 3
SMILES: COc1ccc(cc1O)c1oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)cc(c2c(=O)c1O)O
InChi: 1S/C28H32O16/c1-9-18(31)21(34)24(37)27(41-9)40-8-16-19(32)22(35)25(38)28(44-16)42-11-6-13(30)17-15(7-11)43-26(23(36)20(17)33)10-3-4-14(39-2)12(29)5-10/h3-7,9,16,18-19,21-22,24-25,27-32,34-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,24+,25+,27+,28+/m0/s1
InChiKey: FMZXFFXOKZSIMV-NNFRCGBISA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromenone
3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromone
3,5-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	SWIRM domain containing protein	0.026	0.3971	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0076	0.0191
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0061	0.0718	0.6724
Schistosoma mansoni	RNA binding protein	0.0022	0.0076	0.0205
Schistosoma mansoni	hypothetical protein	0.0061	0.0718	0.1944
Echinococcus multilocularis	SWI:SNF matrix associated	0.0061	0.0718	0.1944
Brugia malayi	SWIB/MDM2 domain containing protein	0.0061	0.0718	0.1807
Schistosoma mansoni	hypothetical protein	0.0061	0.0718	0.1944
Echinococcus multilocularis	serotonin receptor	0.0128	0.1816	0.4919
Echinococcus multilocularis	SWI:SNF matrix associated	0.0061	0.0718	0.1944
Brugia malayi	YY1-associated factor 2	0.0022	0.0076	0.0191
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0546	0.8654	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0022	0.0076	0.0205
Schistosoma mansoni	zinc finger protein	0.0022	0.0076	0.0205
Echinococcus granulosus	zinc finger protein Ran binding	0.0022	0.0076	0.0205
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0061	0.0718	0.6474
Plasmodium vivax	hypothetical protein, conserved	0.0082	0.1067	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1067	0.2688
Echinococcus multilocularis	ring and YY1 binding protein	0.0022	0.0076	0.0205
Trypanosoma brucei	hypothetical protein, conserved	0.0022	0.0076	0.5
Brugia malayi	amine oxidase, flavin-containing family protein	0.0099	0.1346	0.339
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0061	0.0718	0.1944
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0629	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0022	0.0076	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0061	0.0718	0.1807
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0022	0.0076	0.0191
Echinococcus granulosus	ring and YY1 binding protein	0.0022	0.0076	0.0205
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0243	0.3692	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0061	0.0718	0.1944
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0022	0.0076	0.0205
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0082	0.1067	0.2891
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0082	0.1067	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1816	0.4574
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0718	0.5
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0082	0.1067	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0076	0.0191
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0082	0.1067	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0128	0.1816	0.4919
Loa Loa (eye worm)	hypothetical protein	0.0243	0.3692	0.9298
Loa Loa (eye worm)	hypothetical protein	0.0243	0.3692	0.9298
Schistosoma mansoni	hypothetical protein	0.0022	0.0076	0.0205
Echinococcus multilocularis	serotonin receptor	0.0128	0.1816	0.4919
Loa Loa (eye worm)	hypothetical protein	0.0164	0.2404	0.6055
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0076	0.0191
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0022	0.0076	0.5
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0243	0.3692	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0061	0.0718	0.1944
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0082	0.1067	1
Schistosoma mansoni	hypothetical protein	0.0061	0.0718	0.1944
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0082	0.1067	1
Schistosoma mansoni	amine oxidase	0.0082	0.1067	0.2891
Onchocerca volvulus		0.0061	0.0718	0.1648
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0082	0.1067	1
Loa Loa (eye worm)	hypothetical protein	0.0169	0.2483	0.6252
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1346	0.339
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0082	0.1067	0.2891
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0076	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0076	0.0191
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0022	0.0076	0.0191
Trypanosoma brucei	hypothetical protein, conserved	0.0022	0.0076	0.5
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0164	0.2404	0.6055
Onchocerca volvulus		0.026	0.3971	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0082	0.1067	1
Schistosoma mansoni	amine oxidase	0.0082	0.1067	0.2891
Brugia malayi	brahma associated protein 60 kDa	0.0061	0.0718	0.1807
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0082	0.1067	1
Echinococcus multilocularis		0.0082	0.1067	0.2891
Plasmodium vivax	hypothetical protein, conserved	0.0082	0.1067	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0022	0.0076	0.0205
Schistosoma mansoni	brg-1 associated factor	0.0061	0.0718	0.1944
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0082	0.1067	0.2891
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0022	0.0076	0.0205
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0022	0.0076	0.0709
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0082	0.1067	0.5
Schistosoma mansoni	fusion	0.0022	0.0076	0.0205
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0243	0.3692	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0082	0.1067	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0082	0.1067	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0022	0.0076	0.0205
Loa Loa (eye worm)	brahma associated protein	0.0061	0.0718	0.1807
Leishmania major	UDP-galactopyranose mutase	0.0082	0.1067	1
Brugia malayi	hypothetical protein	0.0082	0.1067	0.2688
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0022	0.0076	0.0191
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0061	0.0718	0.6474
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0022	0.0076	0.0191
Echinococcus granulosus	biogenic amine 5HT receptor	0.0128	0.1816	0.4919
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1067	0.2688
Echinococcus granulosus	SWI:SNF matrix associated	0.0061	0.0718	0.1944
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1816	0.4574
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0061	0.0718	0.6724
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0022	0.0076	0.0205
Onchocerca volvulus	CoRest homolog	0.0169	0.2483	0.6179
Toxoplasma gondii	ran binding protein	0.0022	0.0076	0.0709
Loa Loa (eye worm)	hypothetical protein	0.026	0.3971	1
Brugia malayi	brahma associated protein 60 kDa	0.0061	0.0718	0.1807

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

ChEMBL: CHEMBL2333160

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1733874