Detailed information for compound 75932

Basic information

Technical information
  • TDR Targets ID: 75932
  • Name: 9-(hydroxymethyl)-4,8-dimethylfuro[2,3-h]chro men-2-one
  • MW: 244.243 | Formula: C14H12O4
  • H donors: 1 H acceptors: 2 LogP: 1.74 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1c(C)oc2c1c1oc(=O)cc(c1cc2)C
  • InChi: 1S/C14H12O4/c1-7-5-12(16)18-14-9(7)3-4-11-13(14)10(6-15)8(2)17-11/h3-5,15H,6H2,1-2H3
  • InChiKey: DTBIDLAVTVPMJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-(hydroxymethyl)-4,8-dimethyl-furo[2,3-h]chromen-2-one
  • 9-(hydroxymethyl)-4,8-dimethyl-2-furo[2,3-h][1]benzopyranone
  • 4,8-dimethyl-9-methylol-furo[2,3-h]chromen-2-one
  • 9-(hydroxymethyl)-4,8-dimethyl-2-furo[2,3-h]chromenone
  • 4,8-dimethyl-9-methylol-furo[5,4-h]chromen-2-one
  • 75663-40-0
  • 2H-Furo(2,3-h)-1-benzopyran-2-one, 4,8-dimethyl-7-(hydroxymethyl)-
  • 4,5'-Dimethyl-4'-hydroxymethylangelicin
  • 4,8-Dimethyl-7-(hydroxymethyl)-2H-furo(2,3-h)-1-benzopyran-2-one
  • BRN 5559690

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
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0394 0.8965 0.8965
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Schistosoma mansoni serine-rich repeat protein 0.0093 0.1692 0.4692
Schistosoma mansoni hypothetical protein 0.0093 0.1692 0.4692
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0394 0.8965 0.8965
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0172 0.3606 1
Brugia malayi Cache domain containing protein 0.0079 0.1373 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0022 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0179 0.3782 0.3782
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0179 0.3782 0.3782
Entamoeba histolytica hypothetical protein 0.0022 0 0.5
Echinococcus multilocularis expressed protein 0.0437 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.1373 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0087 0.1549 0.4297
Trichomonas vaginalis conserved hypothetical protein 0.0022 0 0.5

Activities

Activity type Activity value Assay description Source Reference
D50 (functional) = 9.2 quanta*10e-18 compound was evaluated for its ability to inhibit DNA synthesis in ehrlich ascites tumor cells by irradiation(365 nM) ChEMBL. 7205886
D50 (functional) = 9.200000000000001 quanta*10e-18 compound was evaluated for its ability to inhibit DNA synthesis in ehrlich ascites tumor cells by irradiation(365 nM) ChEMBL. 7205886
D50 (functional) = 13.8 quanta*10e-18 Compound was evaluated for its ability to inhibit RNA synthesis in ehrlich ascites tumor cells by irradiation(365 nM), ChEMBL. 7205886
D50 (functional) = 13.8 quanta*10e-18 Compound was evaluated for its ability to inhibit RNA synthesis in ehrlich ascites tumor cells by irradiation(365 nM), ChEMBL. 7205886
K (binding) = 1250 The compound was tested for its ability to bind to calf thymus DNA ChEMBL. 7205886
S (ADMET) = 0.00007 M l-1 Water solubility of the compound ChEMBL. 7205886
S (ADMET) = 17.1 ug ml-1 Water solubility of the compound ChEMBL. 7205886
Specific radioactivity (ADMET) = 0.13 Ci/M Specific radioactivity of the compound. ChEMBL. 7205886

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

1 literature reference was collected for this gene.

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