Detailed information for compound 588964

Basic information

Technical information
  • TDR Targets ID: 588964
  • Name: pentalenolactone P
  • MW: 276.285 | Formula: C15H16O5
  • H donors: 1 H acceptors: 3 LogP: 0.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1=C[C@H]2[C@@]3([C@H]1COC(=O)[C@@]13CO1)C[C@@]1([C@H]2C1)C
  • InChi: 1S/C15H16O5/c1-13-3-9(13)8-2-7(11(16)17)10-4-19-12(18)15(6-20-15)14(8,10)5-13/h2,8-10H,3-6H2,1H3,(H,16,17)/t8-,9+,10+,13-,14-,15-/m1/s1
  • InChiKey: QZXYENXDDHSXAD-KRFMCOFKSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 93361-68-3
  • Spiro(4H-cyclopropa(4,5)pentaleno(1,6a-c)pyran-1(2H),2'-oxirane)-5-carboxylic acid, 4a,6a,6b,7,7a,8-hexahydro-7a-methyl-2-oxo-, (1R-(1alpha,4aalpha,6abeta,6bbeta,7abeta,8aR*))-

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
Schistosoma mansoni bromodomain containing protein 0.0065 0.0364 0.1523
Plasmodium falciparum phenylalanine--tRNA ligase 0.0153 0.1121 0.4843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0207 0.0523
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0225 0.0941
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.077 0.3239
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.077 0.3239
Mycobacterium ulcerans 6-phosphofructokinase 0.0112 0.077 0.0649
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0207 0.0523
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0038 0.013 0.0069
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0283 0.225 0.5671
Echinococcus multilocularis neuropeptide receptor A26 0.0481 0.3968 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0225 0.0567
Loa Loa (eye worm) hypothetical protein 0.0042 0.0163 0.01
Plasmodium falciparum phenylalanine--tRNA ligase 0.0218 0.1693 0.7454
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0283 0.225 0.9413
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0207 0.0867
Loa Loa (eye worm) hypothetical protein 0.0283 0.225 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.012 0.0302
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0284 0.0715
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0114 0.079 0.3329
Brugia malayi phosphofructokinase 0.0112 0.077 0.336
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0284 0.1188
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0114 0.079 0.3304
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0218 0.1693 0.4266
Brugia malayi Bromodomain containing protein 0.0039 0.0141 0.0537
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.077 0.3239
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0332 0.0837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0207 0.0523
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0218 0.1693 0.7454
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0112 0.077 0.0649
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0283 0.225 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.012 0.0302
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0284 0.0715
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0283 0.225 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.077 0.2981
Loa Loa (eye worm) hypothetical protein 0.0056 0.0284 0.0675
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0218 0.1693 0.7081
Brugia malayi 6-phosphofructokinase 0.0112 0.077 0.336
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0207 0.0867
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0194 0.1479 0.3727
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0284 0.0715
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0283 0.225 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0114 0.079 0.3329
Brugia malayi Bromodomain containing protein 0.0077 0.0469 0.2009
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0112 0.077 0.3239
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0114 0.079 0.3329
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1177 1 1
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0218 0.1693 0.7499
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0283 0.225 1
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.077 0.3222
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.077 0.3239
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0283 0.225 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0207 0.0312
Onchocerca volvulus 0.0049 0.0225 0.5
Brugia malayi 6-phosphofructokinase 0.0112 0.077 0.336
Loa Loa (eye worm) phosphofructokinase 0.0112 0.077 0.2981
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0207 0.0523
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0225 0.0941
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0332 0.0837
Echinococcus multilocularis neuropeptide s receptor 0.0481 0.3968 1
Brugia malayi mbt repeat family protein 0.0049 0.0225 0.0914
Loa Loa (eye worm) 6-phosphofructokinase 0.0112 0.077 0.2981
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0284 0.1179
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0218 0.1693 0.7454
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1177 1 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0225 0.0395
Echinococcus multilocularis 6 phosphofructokinase 0.0112 0.077 0.1941
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0207 0.0835
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0218 0.1693 0.7357
Loa Loa (eye worm) hypothetical protein 0.0049 0.0225 0.0395
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0218 0.1693 0.4266
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.077 0.3239
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0168 0.1259 1
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0225 0.0567
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0283 0.225 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0225 0.0941
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0194 0.1479 0.3727
Schistosoma mansoni hypothetical protein 0.0299 0.2391 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0431 0.1371
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0283 0.225 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1177 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0207 0.0867
Loa Loa (eye worm) hypothetical protein 0.0044 0.018 0.0181
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0283 0.225 0.5671
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0283 0.225 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0283 0.225 1
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0283 0.225 1
Brugia malayi mbt repeat family protein 0.0049 0.0225 0.0914
Echinococcus granulosus 6 phosphofructokinase 0.0112 0.077 0.1941
Entamoeba histolytica phosphofructokinase, putative 0.0112 0.077 0.3239
Loa Loa (eye worm) MBCTL1 0.0056 0.0284 0.0675
Echinococcus granulosus neuropeptide receptor A26 0.0481 0.3968 1
Schistosoma mansoni 6-phosphofructokinase 0.0112 0.077 0.3222
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0225 0.0567
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0284 0.0715
Trichomonas vaginalis phosphofructokinase, putative 0.0112 0.077 0.3239
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0225 0.5
Echinococcus granulosus neuropeptide s receptor 0.0481 0.3968 1
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0283 0.225 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0225 0.0567

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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