Detailed information for compound 113252
Basic information
Technical information
- TDR Targets ID: 113252
- Name: 8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisoc hromen-1-one
- MW: 256.253 | Formula: C15H12O4
-
H donors: 2
H acceptors: 3
LogP: 3.18
Rotable bonds: 1
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1ccc(cc1)C1OC(=O)c2c(C1)cccc2O
- InChi: 1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
- InChiKey: DGKDFNDHPXVXHW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 8-hydroxy-3-(4-hydroxyphenyl)isochroman-1-one
- 8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one
- hydrangenol
- 8-hydroxy-3-(4-hydroxyphenyl)-1-isochromanone
- 480-47-7
- 3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
- C10262
- 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-hydroxyphenyl)-
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 | sterol regulatory element binding protein | 0.1149 | 0.2441 | 0.3951 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.131 | 0.2806 | 1 |
| Schistosoma mansoni | patched 1 | 0.1149 | 0.2441 | 0.3951 |
| Brugia malayi | Lipocalin / cytosolic fatty-acid binding protein family protein | 0.0503 | 0.0971 | 0.1572 |
| Echinococcus granulosus | sterol regulatory element binding protein | 0.1149 | 0.2441 | 0.3951 |
| Mycobacterium ulcerans | bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase | 0.4472 | 1 | 1 |
| Loa Loa (eye worm) | lipocalin/cytosolic fatty-acid binding protein family protein | 0.0503 | 0.0971 | 0.1572 |
| Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.2792 | 0.6177 | 1 |
| Echinococcus multilocularis | Niemann Pick C1 protein | 0.1149 | 0.2441 | 0.3951 |
| Loa Loa (eye worm) | hypothetical protein | 0.1149 | 0.2441 | 0.3951 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.2792 | 0.6177 | 0.5 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.2792 | 0.6177 | 0.5 |
| Echinococcus granulosus | Protein patched homolog 1 | 0.1149 | 0.2441 | 0.3951 |
| Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.1149 | 0.2441 | 0.3951 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.131 | 0.2806 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.2792 | 0.6177 | 1 |
| Echinococcus multilocularis | protein patched | 0.1149 | 0.2441 | 0.3951 |
| Echinococcus granulosus | Niemann Pick C1 protein | 0.1149 | 0.2441 | 0.3951 |
| Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.2792 | 0.6177 | 0.5 |
| Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.131 | 0.2806 | 0.5 |
| Echinococcus multilocularis | protein dispatched 1 | 0.1149 | 0.2441 | 0.3951 |
| Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.2792 | 0.6177 | 0.5 |
| Treponema pallidum | licC protein (licC) | 0.0451 | 0.0853 | 0.5 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.131 | 0.2806 | 1 |
| Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.2792 | 0.6177 | 1 |
| Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.1149 | 0.2441 | 0.3951 |
| Wolbachia endosymbiont of Brugia malayi | N-acetylglucosamine-1-phosphate uridyltransferase | 0.4472 | 1 | 0.5 |
| Toxoplasma gondii | eukaryotic initiation factor-2B, gamma subunit, putative | 0.0451 | 0.0853 | 0.5 |
| Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.2792 | 0.6177 | 1 |
| Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.2792 | 0.6177 | 0.5821 |
| Brugia malayi | CHE-14 protein | 0.1149 | 0.2441 | 0.3951 |
| Mycobacterium tuberculosis | Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU | 0.4472 | 1 | 1 |
| Brugia malayi | Hydroxymethylglutaryl-coenzyme A reductase family protein | 0.2792 | 0.6177 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | 0 | Tested for inhibitory activity against B lymphocyte proliferation induced by LPS at 10e-5 M; significantly potentiated the proliferation | ChEMBL. | 9871657 |
| Activity (functional) | 0 | Tested for inhibitory activity against T lymphocyte proliferation induced by Con A at 10e-5 M; slightly suppressed the proliferation | ChEMBL. | 9871657 |
| Activity (functional) | 0 | Tested for inhibitory activity against T lymphocyte proliferation induced by PHA; showed no suppressive effect | ChEMBL. | 9871657 |
| Activity (functional) | = 14.4 % | Increase in triglyceride levels in mouse 3T3L1 cells at 1 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 14.4 % | Increase in triglyceride levels in mouse 3T3L1 cells at 1 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 17.7 % | Increase in triglyceride levels in mouse 3T3L1 cells at 10 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 17.7 % | Increase in triglyceride levels in mouse 3T3L1 cells at 10 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 19.2 % | Increase in triglyceride levels in mouse 3T3L1 cells at 3 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 19.2 % | Increase in triglyceride levels in mouse 3T3L1 cells at 3 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 29.9 % | Increase in triglyceride levels in mouse 3T3L1 cells at 30 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 29.9 % | Increase in triglyceride levels in mouse 3T3L1 cells at 30 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 41.3 % | Increase in triglyceride levels in mouse 3T3L1 cells at 100 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 41.3 % | Increase in triglyceride levels in mouse 3T3L1 cells at 100 uM | ChEMBL. | 17609121 |
| Activity (functional) | = 117 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 1 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 117 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 1 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 160 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 3 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 160 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 3 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 221 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 10 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 221 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 10 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 245 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 30 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 245 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 30 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 302 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 100 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 302 % | Increase in 2-Deoxyglucose-uptake in mouse 3T3L1 cells at 100 uM by liquid scintillation counter | ChEMBL. | 17609121 |
| Activity (functional) | = 0.81 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 0.81 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 0.89 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 0.89 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 0.91 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 0.91 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 0.96 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 0.96 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 1.01 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 1.01 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 1.07 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 1.07 mEq/L | Decrease in blood free fatty acid levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 332.1 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 332.1 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 336 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 336 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 336.3 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 336.3 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 362.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 362.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po | ChEMBL. | 17609121 |
| Activity (functional) | = 389.1 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 389.1 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 397.5 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 397.5 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 411.2 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 411.2 mg/dl | Decrease in blood glucose levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 413.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 413.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 422.7 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 422.7 mg/dl | Decrease in blood glucose levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 428.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 428.8 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 200 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 429.3 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 429.3 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po after 1 week | ChEMBL. | 17609121 |
| Activity (functional) | = 483.9 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 483.9 mg/dl | Effect on blood triglyceride levels in KKAy mouse at 100 mg/kg, po after 2 weeks | ChEMBL. | 17609121 |
| Activity (functional) | = 22.3 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 3 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 22.3 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 3 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 22.8 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 10 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 22.8 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 10 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 27.4 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 30 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 27.4 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 30 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 33 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 100 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 33 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 100 uM on day 4 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 68.2 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 3 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 68.2 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 3 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 84.2 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 10 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 84.2 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 10 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 94 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 30 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 94 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 30 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 99.8 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 100 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Activity (functional) | = 99.8 ng/ml | Increase in adiponectin release in mouse 3T3L1 cells at 100 uM on day 6 by ELISA | ChEMBL. | 17609121 |
| Ratio (functional) | = 0.51 | Decrease in IL6 gene expression in mouse 3T3L1 cells at 100 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 0.78 | Decrease in IL6 gene expression in mouse 3T3L1 cells at 30 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 1.12 | Increase in GLUT4 gene expression in mouse 3T3L1 cells at 30 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 1.38 | Increase in GLUT4 gene expression in mouse 3T3L1 cells at 100 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 1.92 | Increase in PPARgamma2 gene expression in mouse 3T3L1 cells at 30 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 1.98 | Increase in adiponectin gene expression in mouse 3T3L1 cells at 30 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 2.46 | Increase in adiponectin gene expression in mouse 3T3L1 cells at 100 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
| Ratio (functional) | = 2.65 | Increase in PPARgamma2 gene expression in mouse 3T3L1 cells at 100 uM after 2 days relative to beta-actin mRNA expression | ChEMBL. | 17609121 |
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
- Search by CAS
- ChEMBL: CHEMBL69299
- PubChem: 119199
Bibliographic References
2 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.