TDR Targets

Basic information

Technical information

TDR Targets ID: 584620
Name: (E)-3-(1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-he xahydro-1H-inden-4-yl)-2-methyl-prop-2-enoic acid
MW: 292.37 | Formula: C17H24O4
H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)OC1CC(=C2C1C(C)CCC2/C=C(/C(=O)O)\C)C
InChi: 1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+
InChiKey: VBBXZFLAYWAXSK-YRNVUSSQSA-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

(E)-3-(1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-2-propenoic acid
(E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-prop-2-enoic acid
(E)-3-(1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-acrylic acid
(E)-3-(1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
acetylvalerenolic acid
(E)-3-(1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
2-Propenoic acid, 3-(1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-

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
Loa Loa (eye worm)	carboxylesterase	0.0297	1	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Brugia malayi	hypothetical protein	0.0124	0.3851	0.3851
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.2283	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2723	0.2723
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.2283	0.2283
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.2723	0.2723
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0112	0.0112
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0256	0.0662
Brugia malayi	hypothetical protein	0.005	0.1231	0.1231
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0641	0.0641
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.2723	0.2723
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0112	0.0112
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2723	0.2723
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0256	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0112	0.0112
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.2283	1
Brugia malayi	Carboxylesterase family protein	0.0297	1	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.005	0.1231	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.005	0.1231	0.1231
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0256	0.0256
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0112	0.0112
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.2283	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.005	0.1231	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2723	0.2723
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Toxoplasma gondii	exonuclease III APE	0.0023	0.0256	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0297	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0256	0.5
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0256	0.1285
Echinococcus multilocularis	acetylcholinesterase	0.0297	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0256	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.005	0.1231	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0297	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0256	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0297	1	1
Brugia malayi	Carboxylesterase family protein	0.005	0.1231	0.1231
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Echinococcus multilocularis	neuroligin	0.005	0.1231	0.1231
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0256	0.0256
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2723	0.2723
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0112	0.0112
Echinococcus granulosus	carboxylesterase 5A	0.0297	1	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3851	0.3851
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0256	0.1285
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0256	0.5
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Trichomonas vaginalis	spcc417.12 protein, putative	0.005	0.1231	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.005	0.1231	0.1231
Schistosoma mansoni	ap endonuclease	0.0023	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0112	0.0112
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0256	0.0662
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2723	0.2723
Loa Loa (eye worm)	hypothetical protein	0.0124	0.3851	0.3851
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0256	0.1285
Echinococcus granulosus	para nitrobenzyl esterase	0.005	0.1231	0.1231
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.005	0.1231	0.1231
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.005	0.1231	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0256	0.1285
Schistosoma mansoni	gliotactin	0.005	0.1231	0.1231
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.005	0.1231	0.1231
Loa Loa (eye worm)	hypothetical protein	0.005	0.1231	0.1231
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0256	0.0662
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0297	1	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0112	0.0112
Schistosoma mansoni	ap endonuclease	0.0023	0.0256	0.0256
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0112	0.0112
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.2283	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0256	0.0662
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.005	0.1231	0.1231
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.2283	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0256	0.0256
Onchocerca volvulus	Huntingtin homolog	0.0124	0.3851	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0112	0.0112
Mycobacterium tuberculosis	Carboxylesterase LipT	0.005	0.1231	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.2283	0.2283
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.005	0.1231	0.1231
Schistosoma mansoni	hypothetical protein	0.0034	0.0641	0.0641
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.1089	0.1089
Echinococcus granulosus	neuroligin	0.005	0.1231	0.1231
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0112	0.0112
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1192	0.1192
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1192	0.1192
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.2283	0.2283
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0641	0.0641
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2723	0.2723
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.1089	0.1089
Echinococcus multilocularis	para nitrobenzyl esterase	0.005	0.1231	0.1231
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2723	0.2723
Echinococcus multilocularis	acetylcholinesterase	0.0297	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1192	0.1192
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1192	0.1192
Echinococcus granulosus	acetylcholinesterase	0.0297	1	1
Echinococcus granulosus	acetylcholinesterase	0.0297	1	1
Loa Loa (eye worm)	carboxylesterase	0.005	0.1231	0.1231
Schistosoma mansoni	acetylcholinesterase	0.005	0.1231	0.1231
Loa Loa (eye worm)	carboxylesterase	0.005	0.1231	0.1231
Echinococcus granulosus	BC026374 protein S09 family	0.005	0.1231	0.1231
Onchocerca volvulus	Huntingtin homolog	0.0124	0.3851	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0256	0.0256
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.2283	0.2283
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0256	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.2283	0.2283
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.005	0.1231	0.1231
Loa Loa (eye worm)	acetylcholinesterase 1	0.0297	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0112	0.0112
Brugia malayi	Carboxylesterase family protein	0.005	0.1231	0.1231
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.005	0.1231	1
Brugia malayi	Carboxylesterase family protein	0.005	0.1231	0.1231
Brugia malayi	Carboxylesterase family protein	0.005	0.1231	0.1231

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

Search by CAS
PubChem: 6439585

Bibliographic References

No literature references available for this target.

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Detailed information for compound 584620