Detailed information for compound 952226

Basic information

Technical information
  • TDR Targets ID: 952226
  • Name: 7-[(2E,6Z)-8-hydroxy-3,7-dimethylocta-2,6-die noxy]-6-methoxychromen-2-one
  • MW: 344.402 | Formula: C20H24O5
  • H donors: 1 H acceptors: 2 LogP: 3.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\COc1cc2oc(=O)ccc2cc1OC)/CC/C=C(\CO)/C
  • InChi: 1S/C20H24O5/c1-14(5-4-6-15(2)13-21)9-10-24-19-12-17-16(11-18(19)23-3)7-8-20(22)25-17/h6-9,11-12,21H,4-5,10,13H2,1-3H3/b14-9+,15-6-
  • InChiKey: TVDKTNHSAAVHMX-XQKUNLABSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[(2E,6Z)-8-hydroxy-3,7-dimethyl-octa-2,6-dienoxy]-6-methoxy-chromen-2-one
  • 7-[(2E,6Z)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-2-chromenone
  • 7-[(2E,6Z)-8-hydroxy-3,7-dimethyl-octa-2,6-dienoxy]-6-methoxy-coumarin

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
Loa Loa (eye worm) hypothetical protein 0.0048 0.8423 0.8423
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.1058 0.1058
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.1058 0.0031
Echinococcus multilocularis sodium:hydrogen exchanger 0.0048 0.8423 0.9898
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0048 0.8423 0.8423
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0048 0.8423 0.9898
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.851 0.851
Loa Loa (eye worm) NHE-3 0.0048 0.8423 0.8423
Loa Loa (eye worm) hypothetical protein 0.0048 0.8423 0.8423
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0048 0.8423 0.9898
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.1035 0.1216
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0048 0.8423 0.9898
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.1035 0.5
Leishmania major cytochrome p450-like protein 0.0021 0.1058 0.0031
Echinococcus multilocularis sodium:hydrogen exchanger 0.0048 0.8423 0.9898
Loa Loa (eye worm) CYP4Cod1 0.0021 0.1058 0.1058
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.1035 0.5
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0048 0.8423 0.9898
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0048 0.8423 0.8423
Echinococcus granulosus sodium:hydrogen exchanger 0.0048 0.8423 0.9898
Schistosoma mansoni hypothetical protein 0.0037 0.5371 0.6312
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0048 0.8423 0.5
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0048 0.8423 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.1035 0.5
Brugia malayi Cytochrome P450 family protein 0.0021 0.1058 0.1058
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0039 0.5934 0.6973
Loa Loa (eye worm) hypothetical protein 0.0048 0.8423 0.8423
Echinococcus granulosus dna polymerase eta 0.0048 0.851 1
Leishmania major DNA polymerase eta, putative 0.0034 0.4604 0.4775
Schistosoma mansoni DNA polymerase eta 0.0048 0.851 1
Echinococcus granulosus sodium:hydrogen exchanger 0.0048 0.8423 0.9898
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0048 0.8423 0.9898
Brugia malayi Cytochrome P450 family protein 0.0052 0.9685 0.9685
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.851 1
Leishmania major DNA polymerase eta, putative 0.0048 0.851 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.1058 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.1058 0.1058
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.1035 0.1216
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.1035 0.5
Echinococcus multilocularis dna polymerase kappa 0.0021 0.1035 0.1216
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.851 1
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0048 0.8423 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.1035 0.1035
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.1035 0.1035
Echinococcus granulosus dna polymerase kappa 0.0021 0.1035 0.1216
Schistosoma mansoni sodium/hydrogen exchanger 0.0048 0.8423 0.9898
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.4604 0.4775
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.1035 0.1216
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.4604 0.5
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0048 0.8423 0.9898
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.9685 0.9685
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.1035 0.1216
Giardia lamblia Sodium/hydrogen exchanger 3 0.0048 0.8423 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0048 0.8423 0.9898
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.1058 0.0031
Loa Loa (eye worm) hypothetical protein 0.0037 0.5371 0.5371
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0039 0.5934 0.6973
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.1035 0.5
Trypanosoma brucei cytochrome P450, putative 0.0021 0.1058 0.0031
Echinococcus multilocularis dna polymerase eta 0.0048 0.851 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.851 0.851
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.5371 0.5371
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0048 0.8423 0.8423
Brugia malayi Cytochrome P450 family protein 0.0021 0.1058 0.1058

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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