TDR Targets

Basic information

Technical information

TDR Targets ID: 1007595
Name: 5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-met hylbut-3-enyl)phenyl]chromen-4-one
MW: 354.353 | Formula: C20H18O6
H donors: 4 H acceptors: 5 LogP: 3.54 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)CC(C(=C)C)O)O
InChi: 1S/C20H18O6/c1-10(2)16(23)6-12-5-11(3-4-15(12)22)14-9-26-18-8-13(21)7-17(24)19(18)20(14)25/h3-5,7-9,16,21-24H,1,6H2,2H3
InChiKey: UGBJBPPUHGPDNB-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)phenyl]chromen-4-one
5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]-4-chromenone
5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)phenyl]chromone

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0558	0.0558
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0511	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1907	0.1907
Brugia malayi	nuclear hormone receptor	0.001	0.0558	0.0558
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.297	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.297	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1736	0.5844
Brugia malayi	nuclear receptor NHR-88	0.001	0.0558	0.0558
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0511	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0558	0.0558
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0558	0.0558
Brugia malayi	ecdysteroid receptor	0.001	0.0558	0.0558
Loa Loa (eye worm)	RNA binding protein	0.0063	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0558	0.0558
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.297	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.297	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0558	0.0558
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0558	0.0558
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0558	0.0558
Onchocerca volvulus		0.0024	0.297	1
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0511	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.297	1
Brugia malayi	hypothetical protein	0.001	0.0511	0.0511
Entamoeba histolytica	hypothetical protein	0.001	0.0511	0.1722
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0558	0.0558
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0511	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0558	0.0558
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0511	0.2682
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0558	0.0558
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0558	0.0558
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0558	0.0558
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1907	0.1907
Echinococcus multilocularis	tar DNA binding protein	0.0063	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0558	0.0558
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.297	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.297	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.297	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0558	0.0558
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0558	0.1878
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0558	0.0558
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0511	1
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0511	0.0511
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0558	0.1878
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.297	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0558	0.0558
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0511	1
Treponema pallidum	DNA ligase (lig)	0.001	0.0511	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.1907	0.6421
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0558	0.0558
Schistosoma mansoni	coup transcription factor	0.001	0.0558	0.0558
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.297	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0511	1
Brugia malayi	steroid hormone receptor	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0511	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0558	0.0558
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0511	1
Brugia malayi	topoisomerase	0.001	0.0511	0.0511
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0558	0.0558
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.297	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.297	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0558	0.0558
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0558	0.0558
Brugia malayi	DKFZp564C0469 protein	0.001	0.0511	0.0511
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.297	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.297	0.297
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0511	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0558	0.0558
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1736	0.5844
Onchocerca volvulus		0.001	0.0558	0.1878
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0511	0.0511
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0511	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0558	0.0558
Schistosoma mansoni	topbp1	0.001	0.0511	0.0511
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0511	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.297	0.297
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.001	0.0511	0.5
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0511	0.0511
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0558	0.0558
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0558	0.0558
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0558	0.0558
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0558	0.0558
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0558	0.0558
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0511	0.1722
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0558	0.0558
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0558	0.0558
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.1907	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0558	0.0558
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0511	0.1722
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.297	1
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0511	0.0511
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0558	0.0558
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0511	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0558	0.0558
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0558	0.0558
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0511	0.2682
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1907	0.1907
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0511	1
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0558	0.1878
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.1907	0.6421
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1907	0.1907
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Brugia malayi	TAR-binding protein	0.0063	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0024	0.297	0.297
Brugia malayi	hypothetical protein	0.001	0.0511	0.0511
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0511	0.0511
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1736	0.5844
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0558	0.0558
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0558	0.0558
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.297	0.297
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0558	0.0558
Schistosoma mansoni	topbp1	0.001	0.0511	0.0511
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0511	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.1907	1
Echinococcus multilocularis	nibrin	0.001	0.0511	0.0511
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0511	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.297	0.297
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0558	0.0558
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0558	0.0558
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.297	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.1907	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0558	0.0558
Echinococcus granulosus	tar DNA binding protein	0.0063	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0558	0.0558
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0558	0.0558
Loa Loa (eye worm)	TAR-binding protein	0.0063	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.297	0.297
Brugia malayi	RNA recognition motif domain containing protein	0.0063	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0511	1
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0511	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0558	0.0558
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.1736	0.5844
Schistosoma mansoni	DNA ligase IV	0.001	0.0511	0.0511
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0511	0.1722
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1907	0.1907
Echinococcus granulosus	nibrin	0.001	0.0511	0.0511
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0558	0.0558
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.297	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0558	0.0558
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0558	0.0558
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.297	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0511	0.0511
Onchocerca volvulus		0.001	0.0511	0.1722

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 50 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	12502337
IC50 (functional)	> 50 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	12502337

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

ChEMBL: CHEMBL512234

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1007595