Detailed information for compound 567194

Basic information

Technical information
  • TDR Targets ID: 567194
  • Name: 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2 -enyl)cyclopenta-1,4-dien-1-yl]butan-1-one
  • MW: 266.333 | Formula: C15H22O4
  • H donors: 3 H acceptors: 4 LogP: 2.19 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)C1=C(O)C(C(=C1O)CC=C(C)C)O)C
  • InChi: 1S/C15H22O4/c1-8(2)5-6-10-13(17)12(15(19)14(10)18)11(16)7-9(3)4/h5,9,14,17-19H,6-7H2,1-4H3
  • InChiKey: VRBDOLKCKSULIG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)-1-cyclopenta-1,4-dienyl]-1-butanone
  • humulinic acid
  • 3-methyl-1-[2,3,5-trihydroxy-4-(3-methylbut-2-enyl)-1-cyclopenta-1,4-dienyl]butan-1-one
  • 520-40-1
  • 1-Butanone, 3-methyl-1-(2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl)-
  • 1-Butanone, 3-methyl-1-[2,3,5-trihydroxy-4-(3-methyl-2-butenyl)-1,4-cyclopentadien-1-yl]-

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
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.0624 0.0536
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0754 0.5126
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0353 0.1375
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0292 0.1139
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Leishmania major cathepsin L-like protease 0.0064 0.1192 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0445 0.1733
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1302 0.5068
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.1302 0.4885
Echinococcus granulosus geminin 0.0168 0.4526 0.4361
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0292 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0353 0.1055
Trichomonas vaginalis glycogen phosphorylase, putative 0.0107 0.2569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0107 0.2569 0.2345
Schistosoma mansoni glycogen phosphorylase 0.0046 0.0624 0.0342
Giardia lamblia Glycogen phosphorylase 0.0107 0.2569 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0292 0.081
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.6485 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Schistosoma mansoni glycogen phosphorylase 0.0107 0.2569 0.2345
Toxoplasma gondii ABC1 family protein 0.0036 0.0292 0.5
Echinococcus granulosus chromobox protein 1 0.0067 0.1302 0.104
Leishmania major cathepsin L-like protease 0.0064 0.1192 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Schistosoma mansoni hypothetical protein 0.0168 0.4526 0.4361
Brugia malayi Heterochromatin protein 1 0.0067 0.1302 0.4434
Loa Loa (eye worm) glycogen phosphorylase 0.0107 0.2569 1
Echinococcus multilocularis p2X purinoceptor 4 0.0339 1 1
Brugia malayi carbohydrate phosphorylase 0.0107 0.2569 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.0624 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0445 0.1426
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0292 0.5
Onchocerca volvulus 0.0036 0.0292 0.081
Trichomonas vaginalis chromobox protein, putative 0.0067 0.1302 0.5068
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1192 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0292 0.081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0732 0.0452
Echinococcus multilocularis tumor protein p63 0.0338 0.9994 0.9994
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0292 0.1139
Entamoeba histolytica glycogen phosphorylase, putative 0.0107 0.2569 1
Schistosoma mansoni chromobox protein 0.0067 0.1302 0.104
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus granulosus glycogen phosphorylase 0.0107 0.2569 0.2345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Schistosoma mansoni hypothetical protein 0.0168 0.4526 0.4361
Echinococcus multilocularis glycogen phosphorylase 0.0107 0.2569 0.2345
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.1014 0.8024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Schistosoma mansoni P2X receptor subunit 0.0339 1 1
Echinococcus granulosus p2X purinoceptor 4 0.0339 1 1
Schistosoma mansoni P2X receptor subunit 0.0339 1 1
Schistosoma mansoni P2X receptor subunit 0.0339 1 1
Schistosoma mansoni chromobox protein 0.0067 0.1302 0.104
Leishmania major cathepsin L-like protease 0.0064 0.1192 1
Trichomonas vaginalis esterase, putative 0.0036 0.0292 0.1139
Chlamydia trachomatis glycogen phosphorylase 0.0107 0.2569 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus granulosus tumor protein p63 0.0338 0.9994 0.9994
Schistosoma mansoni glycogen phosphorylase 0.0107 0.2569 0.2345
Echinococcus multilocularis geminin 0.0168 0.4526 0.4361
Loa Loa (eye worm) hypothetical protein 0.005 0.0732 0.2583
Echinococcus multilocularis chromobox protein 1 0.0067 0.1302 0.104
Entamoeba histolytica glycogen phosphorylase, putative 0.0107 0.2569 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus multilocularis p2X purinoceptor 4 0.0339 1 1
Onchocerca volvulus 0.0036 0.0292 0.081
Brugia malayi chromobox protein homolog 3 0.0038 0.0353 0.0267
Echinococcus multilocularis p2X purinoceptor 4 0.0339 1 1
Onchocerca volvulus Glycogen phosphorylase homolog 0.0107 0.2569 1
Schistosoma mansoni P2X receptor subunit 0.0339 1 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0292 0.5
Trichomonas vaginalis glycogen phosphorylase, putative 0.0107 0.2569 1
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.1192 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0292 0.1139
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0292 0.1139
Echinococcus multilocularis glycogen phosphorylase 0.0107 0.2569 0.2345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus granulosus p2X purinoceptor 4 0.0339 1 1
Echinococcus multilocularis chromobox protein 1 0.0067 0.1302 0.104
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0353 0.1375
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0445 0.1733
Loa Loa (eye worm) hypothetical protein 0.0036 0.0292 0.081
Onchocerca volvulus 0.005 0.0732 0.2583
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1192 1
Echinococcus granulosus Glycosyl transferase family 35 0.0107 0.2569 0.2345
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Echinococcus granulosus chromobox protein 1 0.0067 0.1302 0.104
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0292 0.1139
Onchocerca volvulus 0.0036 0.0292 0.081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.1192 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0353 0.1055
Echinococcus granulosus glycogen phosphorylase 0.0107 0.2569 0.2345
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.1192 1

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.
 
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

No literature references available for this target.

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