Detailed information for compound 1001276

Basic information

Technical information
  • TDR Targets ID: 1001276
  • Name: [(1S,3aR,5R,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydro xy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9 ,9a-decahydroazuleno[6,5-b]furan-6-yl] acetat e
  • MW: 326.385 | Formula: C17H26O6
  • H donors: 2 H acceptors: 4 LogP: 1.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1C[C@H]([C@@]2([C@@H]1[C@H](C)C[C@@H]1[C@H]([C@@H]2O)[C@@H](C(=O)O1)C)C)O
  • InChi: 1S/C17H26O6/c1-7-5-10-13(8(2)16(21)23-10)15(20)17(4)12(19)6-11(14(7)17)22-9(3)18/h7-8,10-15,19-20H,5-6H2,1-4H3/t7-,8+,10-,11+,12-,13-,14-,15+,17-/m1/s1
  • InChiKey: XGBNRGGLKHPFCW-JOYXRACXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid [(1S,3aR,5R,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] ester
  • acetic acid [(1S,3aR,5R,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydroxy-2-keto-1,5,8a-trimethyl-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[5,6-d]furan-6-yl] ester
  • [(1S,3aR,5R,5aS,6S,8R,8aS,9S,9aS)-8,9-dihydroxy-1,5,8a-trimethyl-2-oxo-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-6-yl] ethanoate

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
Trichomonas vaginalis CMGC family protein kinase 0.1028 1 0.5
Giardia lamblia Kinase, CMGC MAPK 0.1028 1 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0292 0.0292
Echinococcus granulosus mitogen activated protein kinase 3 0.1028 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1028 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1028 1 1
Brugia malayi hypothetical protein 0.0148 0.1092 0.0982
Echinococcus granulosus microtubule associated protein 2 0.0717 0.6851 0.6851
Trichomonas vaginalis CMGC family protein kinase 0.1028 1 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0292 0.0172
Loa Loa (eye worm) hypothetical protein 0.0148 0.1092 0.0982
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0292 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1028 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.1028 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0717 0.6851 0.6756
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1028 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1028 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.1028 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0292 0.0292
Onchocerca volvulus 0.0148 0.1092 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1028 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1028 1 0.5
Echinococcus granulosus mitogen activated protein kinase 0.1028 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1028 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1028 1 1
Trypanosoma brucei protein kinase, putative 0.1028 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1028 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1028 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0717 0.6851 0.6851
Trichomonas vaginalis CMGC family protein kinase 0.1028 1 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0292 0.0172

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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