TDR Targets

Basic information

Technical information

TDR Targets ID: 1687653
Name: 1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbu t-2-enyl)xanthen-9-one
MW: 410.46 | Formula: C24H26O6
H donors: 3 H acceptors: 4 LogP: 6.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(CC=C(C)C)c2oc3c(O)c(O)ccc3c(=O)c2c(c1CC=C(C)C)O
InChi: 1S/C24H26O6/c1-12(2)6-8-14-19(26)18-20(27)15-10-11-17(25)21(28)24(15)30-23(18)16(22(14)29-5)9-7-13(3)4/h6-7,10-11,25-26,28H,8-9H2,1-5H3
InChiKey: SGSSJGOWXOYJNC-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

1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)-9-xanthenone
1,5,6-trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthone

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	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0048	0.1286	0.1286
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0048	0.1286	0.1286
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0048	0.1286	0.1286
Echinococcus multilocularis	nAChR subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	FKBP5 protein	0.0107	0.4631	0.4631
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Leishmania major	fk506-binding protein 1-like protein	0.0107	0.4631	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0048	0.1286	0.1286
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Onchocerca volvulus		0.0048	0.1286	0.2447
Loa Loa (eye worm)	hypothetical protein	0.0095	0.3971	0.3971
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0048	0.1286	0.1286
Echinococcus multilocularis	fk506 binding protein	0.0107	0.4631	0.4631
Echinococcus multilocularis	glycine receptor subunit beta	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0117	0.5257	0.5257
Schistosoma mansoni	vesicular amine transporter	0.02	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0092	0.3787	0.3787
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0048	0.1286	0.1286
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0107	0.4631	0.5
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Onchocerca volvulus		0.0117	0.5257	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0107	0.4631	0.4631
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0107	0.4631	0.4631
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0092	0.3787	0.3787
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0107	0.4631	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	ACC-1 protein	0.0048	0.1286	0.1286
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0107	0.4631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Onchocerca volvulus		0.0048	0.1286	0.2447
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0107	0.4631	0.4631
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Brugia malayi	Cation transporter family protein	0.0117	0.5257	0.5257
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0107	0.4631	0.5
Onchocerca volvulus		0.0117	0.5257	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0048	0.1286	0.1286
Echinococcus granulosus	synaptic vesicular amine transporter	0.02	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Schistosoma mansoni	immunophilin	0.0092	0.3787	0.3787
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0048	0.1286	0.1286
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0107	0.4631	0.4631
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0048	0.1286	0.1286
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0107	0.4631	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0048	0.1286	0.1286
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0107	0.4631	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0048	0.1286	0.1286
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0107	0.4631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0048	0.1286	0.1286
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0107	0.4631	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Loa Loa (eye worm)	LGC-31 protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0092	0.3787	0.3787
Brugia malayi	Cation transporter family protein	0.0048	0.1286	0.1286
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	0.02	1	1
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0048	0.1286	0.1286
Echinococcus granulosus	nAChR subunit	0.0048	0.1286	0.1286
Schistosoma mansoni	immunophilin	0.0107	0.4631	0.4631
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0107	0.4631	0.4631
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0048	0.1286	0.1286
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0107	0.4631	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Echinococcus granulosus	glycine receptor subunit beta	0.0048	0.1286	0.1286
Leishmania major	peptidylprolyl isomerase-like protein	0.0107	0.4631	0.5
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0048	0.1286	0.1286
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0048	0.1286	0.1286
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0048	0.1286	0.1286
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0048	0.1286	0.1286
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0048	0.1286	0.1286
Brugia malayi	Cation transporter family protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0117	0.5257	0.5257
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0107	0.4631	0.5
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0107	0.4631	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0048	0.1286	0.1286
Trichomonas vaginalis	immunophilin, putative	0.0107	0.4631	0.5
Onchocerca volvulus		0.0117	0.5257	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0107	0.4631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Echinococcus multilocularis	glycine receptor subunit beta	0.0048	0.1286	0.1286
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1286	0.1286
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0048	0.1286	0.1286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0048	0.1286	0.1286
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0107	0.4631	0.4631
Trichomonas vaginalis	fk506-binding protein, putative	0.0107	0.4631	0.5
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0107	0.4631	0.5
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0048	0.1286	0.1286
Onchocerca volvulus		0.0048	0.1286	0.2447
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0048	0.1286	0.1286
Echinococcus multilocularis	synaptic vesicular amine transporter	0.02	1	1
Onchocerca volvulus	Putative nachr subunit	0.0048	0.1286	0.2447
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0107	0.4631	0.5
Schistosoma mansoni	immunophilin	0.0107	0.4631	0.4631
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0107	0.4631	0.5
Loa Loa (eye worm)	hypothetical protein	0.0117	0.5257	0.5257
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0048	0.1286	0.1286
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0048	0.1286	0.1286
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0107	0.4631	0.4631
Loa Loa (eye worm)	ACC-1 protein	0.0048	0.1286	0.1286
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0048	0.1286	0.1286
Brugia malayi	excitatory GABA receptor EXP-1A	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0117	0.5257	0.5257
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0048	0.1286	0.1286
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0048	0.1286	0.1286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0048	0.1286	0.1286
Schistosoma mansoni	nAChR subunit	0.0048	0.1286	0.1286
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0107	0.4631	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 128 ug ml-1	Antibacterial activity against Escherichia coli TISTR 780 by two-fold broth dilution method	ChEMBL.	22963193

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: CHEMBL2147809

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 1687653