Detailed information for compound 1007270

Basic information

Technical information
  • TDR Targets ID: 1007270
  • Name: 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11- tetramethyltrideca-2,5,7,11-tetraenyl]-6-meth oxy-3,5-dimethylpyran-4-one
  • MW: 400.551 | Formula: C25H36O4
  • H donors: 1 H acceptors: 2 LogP: 6.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C(/[C@@H]([C@@H](/C=C(/C=C/C/C(=C/Cc1oc(OC)c(c(=O)c1C)C)/C)\C)C)O)\C
  • InChi: 1S/C25H36O4/c1-9-18(4)23(26)19(5)15-17(3)12-10-11-16(2)13-14-22-20(6)24(27)21(7)25(28-8)29-22/h9-10,12-13,15,19,23,26H,11,14H2,1-8H3/b12-10+,16-13+,17-15+,18-9+/t19-,23+/m1/s1
  • InChiKey: PFVSUJLJFXJPMF-DNSWMBNWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-pyran-4-one
  • 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-4-pyranone

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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.2657 0.2629
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0169 0.5133 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0047 0.0688 1
Trypanosoma brucei telomerase reverse transcriptase 0.0047 0.0688 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0047 0.0688 1
Brugia malayi hypothetical protein 0.006 0.116 0.1782
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0599 0.1756
Schistosoma mansoni loxhd1 0.0042 0.0502 0.1451
Schistosoma mansoni rab6-interacting 0.0042 0.0502 0.1451
Brugia malayi jmjC domain containing protein 0.0101 0.2657 0.4163
Echinococcus granulosus peregrin 0.0031 0.0107 0.0107
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0599 0.0599
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0502 0.7132
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.3232 0.3232
Loa Loa (eye worm) hypothetical protein 0.006 0.116 0.1782
Trichomonas vaginalis set domain proteins, putative 0.023 0.7343 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0599 0.0599
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.2657 0.2657
Schistosoma mansoni rab6-interacting 0.0042 0.0502 0.1451
Echinococcus multilocularis peregrin 0.0031 0.0107 0.0068
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0502 0.0465
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0172 0.5219 0.7093
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0107 0.0108
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0502 0.0502
Schistosoma mansoni polycystin 1-related 0.0042 0.0502 0.1451
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.3232 0.3205
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0502 0.0502
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0599 0.0563
Echinococcus multilocularis RUN 0.0042 0.0502 0.0465
Brugia malayi hypothetical protein 0.006 0.116 0.1782
Brugia malayi Pre-SET motif family protein 0.0202 0.6328 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0342 0.0951
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.6328 1
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0502 0.0736
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0599 0.0563
Giardia lamblia Telomerase catalytic subunit 0.0047 0.0688 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0599 0.0891
Echinococcus multilocularis protection of telomeres protein 1 0.0303 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0342 0.0305
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0107 0.1045
Brugia malayi PHD-finger family protein 0.0031 0.0107 0.0108
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0546 0.0546
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0342 0.0951
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0107 0.1045
Brugia malayi hypothetical protein 0.0042 0.0502 0.0736
Loa Loa (eye worm) hypothetical protein 0.0053 0.0907 0.1381
Leishmania major telomerase reverse transcriptase, putative 0.0047 0.0688 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0047 0.0688 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0546 0.0509
Onchocerca volvulus Alhambra homolog 0.0031 0.0107 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0599 0.1756
Echinococcus granulosus RUN 0.0042 0.0502 0.0502
Schistosoma mansoni hypothetical protein 0.006 0.116 0.351
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0047 0.0688 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0342 0.0342
Schistosoma mansoni jumonji domain containing protein 0.008 0.1903 0.5838
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0599 0.0891
Plasmodium falciparum telomerase reverse transcriptase 0.0047 0.0688 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0502 0.0736
Loa Loa (eye worm) hypothetical protein 0.0042 0.0502 0.0736
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0107 0.1045
Onchocerca volvulus 0.0042 0.0502 0.0634
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0502 0.0465
Brugia malayi jmjC domain containing protein 0.0037 0.0342 0.0483
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0502 0.0465
Onchocerca volvulus 0.023 0.7343 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0502 0.0502
Schistosoma mansoni lipoxygenase 0.0117 0.3232 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.0031 0.0107 0.0213
Brugia malayi Telomerase reverse transcriptase 0.0125 0.3517 0.553
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0107 0.0068
Onchocerca volvulus 0.0042 0.0502 0.0634
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0599 0.1756
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0342 0.0483
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.13 0.2006
Brugia malayi Doublecortin family protein 0.0042 0.0502 0.0736
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0502 0.6797
Loa Loa (eye worm) hypothetical protein 0.006 0.116 0.1782
Brugia malayi Bromodomain containing protein 0.0031 0.0107 0.0108
Mycobacterium ulcerans epoxide hydrolase EphA 0.0169 0.5133 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0107 0.0108
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0107 0.0213
Schistosoma mansoni hypothetical protein 0.0042 0.0502 0.1451
Brugia malayi hypothetical protein 0.0042 0.0502 0.0736
Schistosoma mansoni lipoxygenase 0.0042 0.0502 0.1451
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0107 0.0107

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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