Detailed information for compound 583126

Basic information

Technical information
  • TDR Targets ID: 583126
  • Name: [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoylox y)-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-y l] (Z)-2-methylbut-2-enoate
  • MW: 428.475 | Formula: C24H28O7
  • H donors: 0 H acceptors: 3 LogP: 4.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C=C(\C(=O)O[C@H]1[C@@H](OC(=O)CC(C)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1)/C
  • InChi: 1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m0/s1
  • InChiKey: UFUVJROSOIXJGR-WLISBCLRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-methyl-2-butenoic acid [(9S,10S)-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-9-yl] ester
  • (Z)-2-methylbut-2-enoic acid [(9S,10S)-10-isovaleryloxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-9-yl] ester
  • praeruptorin E
  • [(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
  • (Z)-2-methylbut-2-enoic acid [(9S,10S)-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • (Z)-2-methylbut-2-enoic acid [(9S,10S)-10-isovaleryloxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-9-yl] ester
  • 78478-28-1
  • 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-10-(3-methyl-1-oxobutoxy)-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9-yl ester, (9S-(9alpha(Z),10alpha))-
  • 3'-Angeloyl-4'-isovalerylkhellactone

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 Basic leucine zipper (bZIP) transcription factor 0.0167 0.1787 0.6459
Brugia malayi hypothetical protein 0.0041 0.0152 0.0106
Schistosoma mansoni hypothetical protein 0.0035 0.0079 0.0286
Schistosoma mansoni polycystin 1-related 0.0041 0.0152 0.0549
Echinococcus multilocularis Polycystic kidney disease protein 0.0041 0.0152 0.0549
Schistosoma mansoni lipoxygenase 0.0243 0.2766 1
Loa Loa (eye worm) doublecortin family protein 0.0041 0.0152 0.0218
Echinococcus granulosus Polycystic kidney disease protein 0.0041 0.0152 0.0549
Mycobacterium ulcerans proteasome PrcA 0.0802 1 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0243 0.2766 1
Echinococcus granulosus RUN 0.0041 0.0152 0.0549
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0152 0.0549
Loa Loa (eye worm) hypothetical protein 0.0041 0.0152 0.0218
Schistosoma mansoni jun-related protein 0.0136 0.1382 0.4996
Echinococcus granulosus jun protein 0.0167 0.1787 0.6459
Echinococcus multilocularis RUN 0.0041 0.0152 0.0549
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0167 0.1787 0.6459
Schistosoma mansoni rab6-interacting 0.0041 0.0152 0.0549
Entamoeba histolytica hypothetical protein 0.0035 0.0079 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0146 0.1521 0.5498
Onchocerca volvulus 0.0131 0.1323 1
Brugia malayi hypothetical protein 0.0131 0.1323 0.1806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0079 0.0286
Plasmodium falciparum LCCL domain-containing protein 0.0041 0.0152 0.5
Schistosoma mansoni loxhd1 0.0041 0.0152 0.0549
Brugia malayi hypothetical protein 0.0041 0.0152 0.0106
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0243 0.2766 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1728 0.248
Loa Loa (eye worm) hypothetical protein 0.0568 0.6967 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0152 0.0549
Plasmodium vivax multidomain scavenger receptor, putative 0.0041 0.0152 0.5
Echinococcus multilocularis lipoxygenase domain containing protein 0.0041 0.0152 0.0549
Loa Loa (eye worm) hypothetical protein 0.0041 0.0152 0.0218
Brugia malayi small heat shock protein 0.0568 0.6967 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0802 1 0.5
Echinococcus multilocularis jun protein 0.0167 0.1787 0.6459
Brugia malayi bZIP transcription factor family protein 0.0167 0.1787 0.2479
Schistosoma mansoni hypothetical protein 0.0136 0.1382 0.4996
Schistosoma mansoni rab6-interacting 0.0041 0.0152 0.0549
Brugia malayi Serotonin receptor 0.0456 0.5521 0.7901
Entamoeba histolytica hypothetical protein 0.0035 0.0079 0.5
Brugia malayi Doublecortin family protein 0.0041 0.0152 0.0106
Echinococcus granulosus nuclear factor of activated T cells 5 0.0146 0.1521 0.5498
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0079 0.0286
Echinococcus granulosus lipoxygenase domain containing protein 0.0041 0.0152 0.0549
Schistosoma mansoni lipoxygenase 0.017 0.1822 0.6585
Entamoeba histolytica hypothetical protein 0.0035 0.0079 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0079 0.0286
Schistosoma mansoni hypothetical protein 0.0041 0.0152 0.0549
Entamoeba histolytica hypothetical protein 0.0035 0.0079 0.5

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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