Detailed information for compound 504490
Basic information
Technical information
- TDR Targets ID: 504490
- Name: (E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochro men-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- MW: 324.37 | Formula: C20H20O4
-
H donors: 2
H acceptors: 3
LogP: 3.96
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1ccc(cc1)/C=C/C(=O)c1ccc(c2c1OC(C)(C)CC2)O
- InChi: 1S/C20H20O4/c1-20(2)12-11-16-18(23)10-8-15(19(16)24-20)17(22)9-5-13-3-6-14(21)7-4-13/h3-10,21,23H,11-12H2,1-2H3/b9-5+
- InChiKey: SEDVPKQZRCGYNR-WEVVVXLNSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (E)-1-(5-hydroxy-2,2-dimethyl-chroman-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- (E)-1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-2-propen-1-one
- (E)-1-(5-hydroxy-2,2-dimethylchroman-8-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- (E)-1-(5-hydroxy-2,2-dimethyl-8-chromanyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Trypanosoma brucei | fructose-bisphosphate aldolase, glycosomal, putative | Curated by TDR Targets | References |
Predicted pathogen targets for this compound
By orthology
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 exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0022 | 0.0563 | 0.5 |
| Plasmodium vivax | fructose 1,6-bisphosphate aldolase, putative | 0.011 | 1 | 1 |
| Leishmania major | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0032 | 0.1616 | 0.1116 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Plasmodium falciparum | fructose-bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.1616 | 0.1616 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0032 | 0.1616 | 0.1616 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Echinococcus granulosus | lamin dm0 | 0.0032 | 0.1616 | 0.1116 |
| Echinococcus granulosus | intermediate filament protein | 0.0032 | 0.1616 | 0.1116 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0032 | 0.1616 | 0.1616 |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 1 | 0.011 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0022 | 0.0563 | 0.5 |
| Echinococcus granulosus | fructose bisphosphate aldolase class I | 0.011 | 1 | 1 |
| Onchocerca volvulus | 0.0032 | 0.1616 | 0.5 | |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0022 | 0.0563 | 0.0563 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0022 | 0.0563 | 0.5 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0022 | 0.0563 | 0.0563 |
| Echinococcus granulosus | lamin | 0.0032 | 0.1616 | 0.1116 |
| Echinococcus granulosus | fructose 16 bisphosphate aldolase | 0.011 | 1 | 1 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0022 | 0.0563 | 0.5 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0022 | 0.0563 | 0.5 |
| Schistosoma mansoni | lamin | 0.0032 | 0.1616 | 0.1116 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 1 | 1 |
| Brugia malayi | fructose-bisphosphate aldolase 1 | 0.011 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0032 | 0.1616 | 0.1116 |
| Onchocerca volvulus | 0.0032 | 0.1616 | 0.5 | |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | fructose-bisphosphate aldolase 2 | 0.011 | 1 | 1 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus multilocularis | fructose bisphosphate aldolase class I | 0.011 | 1 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0022 | 0.0563 | 0.5 |
| Schistosoma mansoni | fructose 16-bisphosphate aldolase | 0.011 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0032 | 0.1616 | 0.1116 |
| Echinococcus multilocularis | musashi | 0.0032 | 0.1616 | 0.1116 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0032 | 0.1616 | 0.1616 |
| Brugia malayi | intermediate filament protein | 0.0032 | 0.1616 | 0.1616 |
| Schistosoma mansoni | intermediate filament proteins | 0.0032 | 0.1616 | 0.1116 |
| Toxoplasma gondii | fructose-bisphosphate aldolase, putative | 0.011 | 1 | 1 |
| Toxoplasma gondii | fructose-1,6-bisphosphate aldolase | 0.011 | 1 | 1 |
| Echinococcus multilocularis | fructose 1,6 bisphosphate aldolase | 0.011 | 1 | 1 |
| Trypanosoma brucei | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0022 | 0.0563 | 0.5 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0022 | 0.0563 | 0.5 |
| Trypanosoma cruzi | fructose-bisphosphate aldolase, glycosomal, putative | 0.011 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.1553 | 0.1553 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| MIC (functional) | = 2 ug | Fungicidal activity against Cladosporium cladosporioides | ChEMBL. | 17112640 |
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.
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
- PubChem: 14078473
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.