TDR Targets

Basic information

Technical information

TDR Targets ID: 1004926
Name: (1S,5R,6R,7R)-7-(3,5-dihydroxyphenyl)-6-(4-hy droxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)etheny l]bicyclo[3.2.1]oct-2-ene-4,8-dione
MW: 454.471 | Formula: C28H22O6
H donors: 4 H acceptors: 6 LogP: 3.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C/C1=CC(=O)[C@@H]2C(=O)[C@H]1[C@H](c1cc(O)cc(c1)O)[C@H]2c1ccc(cc1)O
InChi: 1S/C28H22O6/c29-19-7-2-15(3-8-19)1-4-17-13-23(33)27-24(16-5-9-20(30)10-6-16)25(26(17)28(27)34)18-11-21(31)14-22(32)12-18/h1-14,24-27,29-32H/b4-1+/t24-,25-,26-,27+/m1/s1
InChiKey: SVSWTEAHRCVGAR-XKULTGEBSA-N

Network

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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

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Clustering layers

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Synonyms

(1S,5R,6R,7R)-7-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)vinyl]bicyclo[3.2.1]oct-2-ene-4,8-dione
(1S,5R,6R,7R)-7-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)vinyl]bicyclo[3.2.1]oct-2-ene-4,8-quinone

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
Onchocerca volvulus		0.0047	0.0168	0.5759
Loa Loa (eye worm)	choline O-acetyltransferase	0.0338	1	1
Echinococcus granulosus	acetylcholinesterase	0.0277	0.7942	0.7942
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.005	0.0292	0.0292
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0209	0.0209
Echinococcus granulosus	choline O acetyltransferase	0.0338	1	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0277	0.7942	0.7942
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.005	0.0292	0.0292
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0277	0.7942	0.7942
Echinococcus granulosus	carboxylesterase 5A	0.0277	0.7942	0.7942
Echinococcus granulosus	neuroligin	0.0047	0.0168	0.0168
Onchocerca volvulus		0.005	0.0292	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0209	0.0209
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.005	0.0292	1
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0168	0.0168
Brugia malayi	Carboxylesterase family protein	0.0047	0.0168	0.0168
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0292	1
Loa Loa (eye worm)	hypothetical protein	0.0338	1	1
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.005	0.0292	1
Brugia malayi	Carboxylesterase family protein	0.0047	0.0168	0.0168
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.005	0.0292	0.0292
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.005	0.0292	1
Brugia malayi	Carboxylesterase family protein	0.0047	0.0168	0.0168
Echinococcus multilocularis	choline O acetyltransferase	0.0338	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0	0.5
Echinococcus multilocularis	neuroligin	0.0047	0.0168	0.0168
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.005	0.0292	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0209	0.0209
Mycobacterium ulcerans	carboxylesterase, LipT	0.0047	0.0168	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0168	0.0168
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.005	0.0292	0.0292
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.005	0.0292	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0267	0.7613	1
Onchocerca volvulus		0.0047	0.0168	0.5759
Brugia malayi	Carboxylesterase family protein	0.0047	0.0168	0.0168
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.005	0.0292	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0047	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0277	0.7942	0.7942
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0047	0.0168	0.0168
Echinococcus granulosus	acetylcholinesterase	0.0277	0.7942	0.7942
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.005	0.0292	0.0292
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0168	0.0168
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.005	0.0292	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.0168	0.0221
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0292	1
Brugia malayi	Carboxylesterase family protein	0.0277	0.7942	0.7942
Echinococcus multilocularis	acetylcholinesterase	0.0277	0.7942	0.7942
Schistosoma mansoni	choline o-acyltransferase	0.005	0.0292	0.0292
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0047	0.0168	1
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.005	0.0292	0.0292
Onchocerca volvulus		0.005	0.0292	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0047	0.0168	0.0168
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0168	0.0168
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0292	1
Mycobacterium leprae	conserved hypothetical protein	0.0042	0	0.5
Schistosoma mansoni	choline o-acyltransferase	0.0338	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0047	0.0168	0.0168
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0209	0.0209
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0209	0.0209
Leishmania major	carnitine/choline acetyltransferase, putative	0.005	0.0292	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0209	0.0209
Loa Loa (eye worm)	acetylcholinesterase 1	0.0277	0.7942	0.7942
Onchocerca volvulus		0.0047	0.0168	0.5759
Echinococcus granulosus	para nitrobenzyl esterase	0.0047	0.0168	0.0168
Echinococcus multilocularis	acetylcholinesterase	0.0277	0.7942	0.7942
Onchocerca volvulus		0.0047	0.0168	0.5759
Onchocerca volvulus		0.005	0.0292	1
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.005	0.0292	1
Brugia malayi	Carboxylesterase family protein	0.0277	0.7942	0.7942
Trypanosoma brucei	hypothetical protein, conserved	0.005	0.0292	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0209	0.0209
Onchocerca volvulus		0.0047	0.0168	0.5759
Schistosoma mansoni	gliotactin	0.0047	0.0168	0.0168
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.005	0.0292	0.0292
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0292	1
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.005	0.0292	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Leishmania major	carnitine palmitoyltransferase-like protein	0.005	0.0292	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.005	0.0292	0.0292
Onchocerca volvulus		0.005	0.0292	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0209	0.0209
Toxoplasma gondii	ABC1 family protein	0.0042	0	0.5
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.005	0.0292	1
Brugia malayi	Choline O-acetyltransferase	0.0338	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0292	0.0292
Schistosoma mansoni	acetylcholinesterase	0.0047	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0047	0.0168	0.0168
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.005	0.0292	1
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.005	0.0292	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0047	0.0168	0.0168
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.005	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Loa Loa (eye worm)	carboxylesterase	0.0277	0.7942	0.7942
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0168	0.0168
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0047	0.0168	0.0221
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.0168	0.0221
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.005	0.0292	1
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0292	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0209	0.0209
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0168	0.0168
Echinococcus granulosus	BC026374 protein S09 family	0.0047	0.0168	0.0168
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0047	0.0168	0.0168
Echinococcus multilocularis	carboxylesterase 5A	0.0277	0.7942	0.7942
Brugia malayi	hypothetical protein	0.0047	0.0168	0.0168

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: CHEMBL497702

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1004926