Detailed information for compound 505973

Basic information

Technical information
  • TDR Targets ID: 505973
  • Name: (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3 -dihydrochromen-4-one
  • MW: 272.253 | Formula: C15H12O5
  • H donors: 3 H acceptors: 4 LogP: 1.64 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1O
  • InChi: 1S/C15H12O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1
  • InChiKey: VRTGGIJPIYOHGT-LSDHHAIUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
  • (2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • 1226-22-8
  • 3,7,4'-Trihydroxyflavanone
  • C09751
  • Garbanzol

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
Trypanosoma brucei cytochrome P450, putative 0.003 0.059 1
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.027 1 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.059 0.059
Entamoeba histolytica fatty acid elongase, putative 0.0035 0.0798 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0016 0.0063 0.0063
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.059 0.3288
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0016 0.0063 0.0063
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.1794 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0016 0.0063 0.0063
Schistosoma mansoni hypothetical protein 0.0016 0.0063 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.059 0.3288
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0016 0.0063 0.0063
Trichomonas vaginalis ap endonuclease, putative 0.0015 0 0.5
Brugia malayi Cytochrome P450 family protein 0.003 0.059 0.3288
Toxoplasma gondii cytochrome p450 superfamily protein 0.0016 0.0063 1
Brugia malayi Cytochrome P450 family protein 0.003 0.059 0.3288
Trichomonas vaginalis ap endonuclease, putative 0.0015 0 0.5
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0016 0.0063 0.0063
Brugia malayi Cytochrome P450 family protein 0.006 0.1794 1
Schistosoma mansoni cytochrome P450 0.0016 0.0063 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0016 0.0063 0.0063
Leishmania major cytochrome p450-like protein 0.0016 0.0063 0.1068
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0016 0.0063 0.0063
Loa Loa (eye worm) CYP4Cod1 0.003 0.059 0.3288
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.027 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0016 0.0063 0.0063
Leishmania major cytochrome p450-like protein 0.0016 0.0063 0.1068
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.027 1 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.0063 0.1068
Mycobacterium leprae putative cytochrome p450 0.0016 0.0063 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0015 0 0.5
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0016 0.0063 0.0063
Leishmania major cytochrome p450-like protein 0.003 0.059 1
Brugia malayi Cytochrome P450 family protein 0.0016 0.0063 0.0351
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0016 0.0063 0.0063
Entamoeba histolytica fatty acid elongase, putative 0.0035 0.0798 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.0063 0.1068
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0016 0.0063 0.0063
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0016 0.0063 0.0063
Echinococcus multilocularis 0.0016 0.0063 1
Entamoeba histolytica fatty acid elongase, putative 0.0035 0.0798 1
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0063 1
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0016 0.0063 0.0063
Loa Loa (eye worm) cytochrome P450 0.0016 0.0063 0.0351
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0016 0.0063 0.0063
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0063 0.5
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0016 0.0063 0.0063
Entamoeba histolytica fatty acid elongase, putative 0.0035 0.0798 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.027 1 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.027 1 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0016 0.0063 0.0063
Trypanosoma cruzi cytochrome P450, putative 0.003 0.059 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0016 0.0063 0.0063
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0016 0.0063 0.0063
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.0063 0.1068
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0063 0.1068
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0016 0.0063 0.0063
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.027 1 1
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0016 0.0063 0.0063
Brugia malayi cytochrome P450 0.0016 0.0063 0.0351
Trypanosoma cruzi cytochrome P450, putative 0.003 0.059 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0016 0.0063 0.0063
Entamoeba histolytica fatty acid elongase, putative 0.0035 0.0798 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0063 0.1068
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0016 0.0063 0.0063
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.027 1 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0016 0.0063 0.0063
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0016 0.0063 0.0063

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 99.3 % Inhibition of human aromatase using androstenedione as substrate assessed as remaining estrone level at 10 uM after 30 mins by LC-MS/MS analysis relative to control ChEMBL. 24630560
CD100 (functional) > 100 uM Cytotoxicity against human PANC1 cells in nutrient deprived medium after 24 hrs ChEMBL. 17950610
CD100 (functional) > 100 uM Cytotoxicity against human PANC1 cells in nutrient deprived medium after 24 hrs ChEMBL. 17950610
IC50 (functional) > 100 uM Cytotoxicity against human A549 cells after 72 hrs by MTT assay ChEMBL. 18440233
IC50 (functional) > 100 uM Cytotoxicity against human HeLa cells after 72 hrs by MTT assay ChEMBL. 18440233
IC50 (functional) > 100 uM Cytotoxicity against human HT1080 cells after 72 hrs by MTT assay ChEMBL. 18440233

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

2 literature references were collected for this gene.

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