TDR Targets

Basic information

Technical information

TDR Targets ID: 976792
Name: 2-hydroxy-2-[(2E,6E)-9-hydroxy-3,7,11-trimeth yl-8-oxododeca-2,6,10-trienyl]-4-methyl-1-ben zofuran-3-one
MW: 398.492 | Formula: C24H30O5
H donors: 2 H acceptors: 4 LogP: 4.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=C\CC1(O)Oc2c(C1=O)c(C)ccc2)/CC/C=C(/C(=O)C(C=C(C)C)O)\C
InChi: 1S/C24H30O5/c1-15(2)14-19(25)22(26)18(5)10-6-8-16(3)12-13-24(28)23(27)21-17(4)9-7-11-20(21)29-24/h7,9-12,14,19,25,28H,6,8,13H2,1-5H3/b16-12+,18-10+
InChiKey: VVBKGKVVVDCESM-GSVJDQSGSA-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

2-hydroxy-2-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-8-oxo-dodeca-2,6,10-trienyl]-4-methyl-benzofuran-3-one
2-hydroxy-2-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-8-oxododeca-2,6,10-trienyl]-4-methyl-3-benzofuranone
2-hydroxy-2-[(2E,6E)-9-hydroxy-8-keto-3,7,11-trimethyl-dodeca-2,6,10-trienyl]-4-methyl-benzofuran-3-one
2-hydroxy-2-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-8-oxo-dodeca-2,6,10-trienyl]-4-methyl-1-benzofuran-3-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
Giardia lamblia	Cathepsin B precursor	0.0056	0.1752	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Loa Loa (eye worm)	ctsf protein	0.0058	0.1985	0.1985
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Onchocerca volvulus		0.0058	0.1985	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0058	0.1985	0.1985
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1985	0.1985
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Onchocerca volvulus	Cathepsin L homolog	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Loa Loa (eye worm)	cysteine protease	0.0058	0.1985	0.1985
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0058	0.1985	0.1985
Trypanosoma cruzi	cruzipain precursor, putative	0.0058	0.1985	0.1985
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0044	0.0222
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0058	0.1985	0.1949
Loa Loa (eye worm)	hypothetical protein	0.0145	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Loa Loa (eye worm)	cathepsin B	0.0056	0.1752	0.1752
Giardia lamblia	Cathepsin B precursor	0.0056	0.1752	0.5
Echinococcus granulosus	cathepsin L	0.0037	0.0044	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0044	0.0044
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Echinococcus multilocularis	cathepsin b	0.0145	1	1
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Toxoplasma gondii	cathepsin CPL	0.0058	0.1985	1
Onchocerca volvulus	Cathepsin L homolog	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0037	0.0044	0.0044
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0056	0.1752	0.8803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1985	0.1985
Onchocerca volvulus		0.0058	0.1985	1
Echinococcus granulosus	cathepsin b	0.0145	1	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0037	0.0044	0.0222
Loa Loa (eye worm)	fibroinase	0.0058	0.1985	0.1985
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1985	0.1985
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.0044	0.0044
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0058	0.1985	1
Entamoeba histolytica	cysteine proteinase 2	0.0037	0.0044	0.0222
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0044	0.0222
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	1	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Onchocerca volvulus		0.0058	0.1985	1
Echinococcus multilocularis	cysteine protease	0.0058	0.1985	0.1949
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0058	0.1985	1
Onchocerca volvulus		0.0058	0.1985	1
Echinococcus multilocularis	cysteine protease	0.0058	0.1985	0.1949
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.0044	0.0044
Entamoeba histolytica	cysteine protease, putative	0.0058	0.1985	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0058	0.1985	0.1949
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Giardia lamblia	Cathepsin B precursor	0.0056	0.1752	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.0044	0.0044
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.1985	0.1985
Echinococcus multilocularis	cathepsin L cysteine protease	0.0058	0.1985	0.1949
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0044	0.0222
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.0044	0.0044
Onchocerca volvulus		0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0056	0.1752	0.8829
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0145	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Trypanosoma cruzi	cysteine protease, putative	0.0037	0.0044	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Entamoeba histolytica	cysteine proteinase, putative	0.0037	0.0044	0.0222
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Echinococcus granulosus	cysteine protease	0.0037	0.0044	0.0044
Echinococcus multilocularis	cathepsin L cysteine protease	0.0058	0.1985	0.1949
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1985	0.1985
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0058	0.1985	1
Echinococcus granulosus	cathepsin b	0.0145	1	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0056	0.1752	0.1752
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Echinococcus granulosus	cathepsin l1	0.0058	0.1985	0.1985
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Onchocerca volvulus	Cathepsin F homolog	0.0058	0.1985	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0058	0.1985	0.1985
Echinococcus granulosus	cathepsin L cysteine protease	0.0037	0.0044	0.0044
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Plasmodium vivax	vivapain-2	0.0058	0.1985	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0058	0.1985	0.1985
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0056	0.1752	0.1752
Trypanosoma cruzi	cysteine peptidase, putative	0.0037	0.0044	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0044	0.0222
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1985	0.1985
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Leishmania major	cathepsin L-like protease	0.0058	0.1985	1
Echinococcus multilocularis	cathepsin b	0.0145	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.1985	1
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.1985	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.1985	0.1985
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0037	0.0044	0.0044
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0037	0.0044	0.0222
Onchocerca volvulus		0.0058	0.1985	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0058	0.1985	1
Onchocerca volvulus		0.0058	0.1985	1
Plasmodium vivax	vivapain-2	0.0058	0.1985	1
Entamoeba histolytica	cysteine protease, putative	0.0037	0.0044	0.0222
Trypanosoma cruzi	cysteine proteinase, putative	0.0037	0.0044	0.0044
Brugia malayi	Cathepsin L-like precursor	0.0058	0.1985	0.1985
Leishmania major	cysteine peptidase A (CPA)	0.0058	0.1985	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.1985	0.1985

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antifungal activity against Candida albicans BE 138/99 at 100 ug/disk after 48 hrs by standard paper sensitivity disk-agar plate method	ChEMBL.	15165137
Activity (functional)		Antibacterial activity against Escherichia coli ATCC 25922 at 100 ug/disk after 48 hrs by standard paper sensitivity disk-agar plate method	ChEMBL.	15165137

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: CHEMBL471271

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 976792