Detailed information for compound 955514

Basic information

Technical information
  • TDR Targets ID: 955514
  • Name: 2-[(1S,4S)-2,2-dimethyl-4-prop-1-en-2-ylcyclo pentyl]-1,3,5-trihydroxyxanthen-9-one
  • MW: 380.434 | Formula: C23H24O5
  • H donors: 3 H acceptors: 4 LogP: 6.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)[C@H]1C[C@@H](C(C1)(C)C)c1c(O)cc2c(c1O)c(=O)c1c(o2)c(O)ccc1
  • InChi: 1S/C23H24O5/c1-11(2)12-8-14(23(3,4)10-12)18-16(25)9-17-19(21(18)27)20(26)13-6-5-7-15(24)22(13)28-17/h5-7,9,12,14,24-25,27H,1,8,10H2,2-4H3/t12-,14+/m0/s1
  • InChiKey: AUUIZUXRGRVPCU-GXTWGEPZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,3,5-trihydroxy-2-[(1S,4S)-4-isopropenyl-2,2-dimethyl-cyclopentyl]xanthen-9-one
  • 1,3,5-trihydroxy-2-[(1S,4S)-4-isopropenyl-2,2-dimethylcyclopentyl]-9-xanthenone
  • 1,3,5-trihydroxy-2-[(1S,4S)-4-isopropenyl-2,2-dimethyl-cyclopentyl]xanthone
  • 2-[(1S,4S)-2,2-dimethyl-4-prop-1-en-2-yl-cyclopentyl]-1,3,5-trihydroxy-xanthen-9-one

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
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0006 0.0006
Entamoeba histolytica hypothetical protein 0.0035 0.0305 1
Schistosoma mansoni hypothetical protein 0.0413 0.4981 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.0007 0.0025
Brugia malayi Bromodomain containing protein 0.0028 0.0222 0.0817
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0421 0.0421
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0098 0.2446
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0316 0.1106
Loa Loa (eye worm) hypothetical protein 0.0099 0.1093 0.3826
Echinococcus granulosus leukotriene A 4 hydrolase 0.0241 0.2856 0.5734
Mycobacterium leprae Conserved hypothetical protein 0.001 0 0.5
Schistosoma mansoni lipoxygenase 0.0115 0.1291 0.2591
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0013 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0031 0.0259 0.0519
Plasmodium falciparum phd finger protein, putative 0.0028 0.0222 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0013 0.0031 0.0108
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0096 0.0354
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0013 0.0031 0.315
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0421 0.0845
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0296 0.0296
Schistosoma mansoni ap endonuclease 0.0018 0.0098 0.0197
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0098 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.1291 0.1291
Brugia malayi hypothetical protein 0.0013 0.0031 0.0114
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0222 0.0446
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0013 0.0031 0.0031
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0316 0.0635
Brugia malayi PHD-finger family protein 0.0011 0.0007 0.0026
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0421 0.1474
Schistosoma mansoni rab6-interacting 0.0019 0.0109 0.022
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0013 0.0031 0.0062
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.1018 0.1018
Schistosoma mansoni lipoxygenase 0.008 0.0864 0.1735
Echinococcus multilocularis GPCR, family 2 0.0031 0.0259 0.0259
Mycobacterium leprae putative cytochrome p450 0.001 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0047 0.0459 0.169
Entamoeba histolytica hypothetical protein 0.0035 0.0305 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0259 0.0905
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2716 0.5454
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0108
Onchocerca volvulus 0.0019 0.0109 0.1865
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1093 0.4023
Schistosoma mansoni hypothetical protein 0.0019 0.0109 0.022
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0259 0.0952
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0013 0.0031 0.1047
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0013 0.0031 0.315
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1363 0.4773
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0098 1
Echinococcus granulosus peregrin 0.0028 0.0222 0.0446
Brugia malayi hypothetical protein 0.023 0.2716 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0241 0.2856 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0421 0.0845
Echinococcus multilocularis cpg binding protein 0.0031 0.0251 0.0251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0421 0.0421
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0222 0.0777
Loa Loa (eye worm) hypothetical protein 0.0031 0.0259 0.0905
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0259 0.0952
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0421 0.0845
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0305 0.0305
Brugia malayi PHD-finger family protein 0.0028 0.0222 0.0817
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0098 0.0197
Echinococcus granulosus aminopeptidase N 0.0013 0.0031 0.0062
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0109 0.4728
Toxoplasma gondii aminopeptidase N protein 0.0013 0.0031 0.0559
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0707 0.2474
Giardia lamblia PHD finger protein 15 0.0028 0.0222 1
Loa Loa (eye worm) hypothetical protein 0.023 0.2716 0.951
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0359 0.0359
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0013 0.0031 0.315
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0109 0.022
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0013 0.0031 0.0062
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0231 0.0809
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0013 0.0031 0.0031
Entamoeba histolytica hypothetical protein 0.0035 0.0305 1
Schistosoma mansoni hypothetical protein 0.0028 0.0222 0.0446
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0109 0.0109
Mycobacterium ulcerans aminopeptidase N PepN 0.0013 0.0031 0.315
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0259 0.0519
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0222 0.0446
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0098 0.4188
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0098 0.036
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0222 1
Onchocerca volvulus 0.0029 0.0231 0.4748
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0013 0.0031 0.315
Schistosoma mansoni hypothetical protein 0.0035 0.0305 0.0612
Toxoplasma gondii aminopeptidase n, putative 0.0013 0.0031 0.0559
Trypanosoma cruzi aminopeptidase, putative 0.0013 0.0031 0.315
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0316 0.0635
Echinococcus granulosus GPCR family 2 0.0031 0.0259 0.0519
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0459 0.1607
Echinococcus granulosus RUN 0.0019 0.0109 0.022
Schistosoma mansoni ap endonuclease 0.0018 0.0098 0.0197
Onchocerca volvulus 0.0047 0.0452 1
Echinococcus multilocularis peregrin 0.0028 0.0222 0.0222
Brugia malayi Peptidase family M1 containing protein 0.0013 0.0031 0.0114
Echinococcus multilocularis aminopeptidase N 0.0013 0.0031 0.0031
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1363 0.4773
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0359 0.0721
Brugia malayi jmjC domain containing protein 0.0036 0.0316 0.1163
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0013 0.0031 0.315
Brugia malayi CXXC zinc finger family protein 0.0029 0.0231 0.085
Echinococcus granulosus cpg binding protein 0.0031 0.0251 0.0505
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0241 0.2856 0.2856
Brugia malayi TATA binding protein associated factor 0.0013 0.0031 0.0114
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0098 0.5
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0031 0.315
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.1018 0.2043
Trypanosoma brucei Aminopeptidase M1, putative 0.0013 0.0031 0.315
Brugia malayi jmjC domain containing protein 0.0092 0.1018 0.3746
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0707 0.2602
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2716 0.2716
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0031 0.315
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0109 0.0383
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0031 0.315
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0259 0.0259
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Trypanosoma brucei Aminopeptidase M1, putative 0.0013 0.0031 0.315
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0076 0.0152
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0594 0.2081
Loa Loa (eye worm) hypothetical protein 0.0028 0.0222 0.0777
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0222 0.4023
Schistosoma mansoni rab6-interacting 0.0019 0.0109 0.022
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0013 0.0031 0.0031
Schistosoma mansoni hypothetical protein 0.0031 0.0259 0.0519
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0305 0.0612
Schistosoma mansoni hypothetical protein 0.0031 0.0259 0.0519
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0305 0.0612
Schistosoma mansoni polycystin 1-related 0.0019 0.0109 0.022
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0098 1
Toxoplasma gondii exonuclease III APE 0.0018 0.0098 0.1774
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0109 0.0109
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0098 0.4188
Schistosoma mansoni hypothetical protein 0.0067 0.0707 0.1419
Loa Loa (eye worm) hypothetical protein 0.0019 0.0109 0.0383
Trypanosoma cruzi Aminopeptidase M1, putative 0.0013 0.0031 0.315
Schistosoma mansoni hypothetical protein 0.0047 0.0452 0.0908
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0241 0.2856 0.5734
Brugia malayi hypothetical protein 0.0111 0.1244 0.458
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0552 1
Brugia malayi MH2 domain containing protein 0.012 0.1363 0.5019
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0013 0.0031 0.315
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0109 0.0109
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0421 0.155
Trypanosoma cruzi aminopeptidase, putative 0.0013 0.0031 0.315
Schistosoma mansoni hypothetical protein 0.0031 0.0259 0.0519
Onchocerca volvulus Alhambra homolog 0.0028 0.0222 0.4535
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0222 0.0222
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0316 0.0635
Schistosoma mansoni cpg binding protein 0.0031 0.0251 0.0505
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0013 0.0031 0.0062
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0098 0.0343
Echinococcus granulosus dnaJ subfamily B 0.0413 0.4981 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0013 0.0031 0.315
Schistosoma mansoni cpg binding protein 0.0031 0.0251 0.0505
Trypanosoma brucei aminopeptidase, putative 0.0013 0.0031 0.315
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0013 0.0031 0.1047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0421 0.0845
Brugia malayi Peptidase family M1 containing protein 0.0013 0.0031 0.0114
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.1291 0.2591
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0108
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0013 0.0031 0.1047
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0013 0.0031 0.1047
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0108
Echinococcus multilocularis RUN 0.0019 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0048 0.0472 0.1652
Toxoplasma gondii aminopeptidase N, putative 0.0013 0.0031 0.0559
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0259 0.0519
Schistosoma mansoni cpg binding protein 0.0029 0.0231 0.0464
Brugia malayi hypothetical protein 0.0013 0.0031 0.0114
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0782 0.157
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0222 0.4023
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0013 0.0031 0.315
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0098 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0098 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0098 1
Brugia malayi hypothetical protein 0.0035 0.0305 0.1123
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0259 0.0259
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0006 0.0011
Entamoeba histolytica hypothetical protein 0.0035 0.0305 1
Brugia malayi Doublecortin family protein 0.0019 0.0109 0.0403
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0109 0.4728
Schistosoma mansoni aminopeptidase A (M01 family) 0.0013 0.0031 0.0062
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0098 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0633 0.1271
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0098 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Loa Loa (eye worm) peptidase family M1 containing protein 0.0013 0.0031 0.0108
Schistosoma mansoni survival motor neuron protein 0.0047 0.0452 0.0908
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0109 0.022
Brugia malayi hypothetical protein 0.0019 0.0109 0.0403
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0013 0.0031 0.0062
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1093 0.4023
Echinococcus multilocularis dnaJ subfamily B 0.0413 0.4981 0.4981
Brugia malayi Peptidase family M1 containing protein 0.0013 0.0031 0.0114
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0109 0.022
Schistosoma mansoni loxhd1 0.0019 0.0109 0.022
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0452 0.1665
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1093 0.3826
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0109 0.0383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0421 0.0845
Brugia malayi hypothetical protein 0.0019 0.0109 0.0403
Loa Loa (eye worm) aminopeptidase N 0.0013 0.0031 0.0108
Onchocerca volvulus 0.0019 0.0109 0.1865
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0098 0.0098

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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