3-[3-Hydroxy-2-(4-methyldec-2-en-2-yl)-6-oxo-2,3-dihydropyran-5-yl]prop-2-enoic acid
| Internal ID | d505de44-8307-4037-9614-67ac3ce96246 |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 3-[3-hydroxy-2-(4-methyldec-2-en-2-yl)-6-oxo-2,3-dihydropyran-5-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O5/c1-4-5-6-7-8-13(2)11-14(3)18-16(20)12-15(19(23)24-18)9-10-17(21)22/h9-13,16,18,20H,4-8H2,1-3H3,(H,21,22) |
| InChI Key | AYPWQBGGCFOXOX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O5 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 3-[3-Hydroxy-2-(4-methyldec-2-en-2-yl)-6-oxo-2,3-dihydropyran-5-yl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-hydroxy-2-4-methyldec-2-en-2-yl-6-oxo-23-dihydropyran-5-ylprop-2-enoic-acid.jpg "2D Structure of 3-[3-Hydroxy-2-(4-methyldec-2-en-2-yl)-6-oxo-2,3-dihydropyran-5-yl]prop-2-enoic acid")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.52% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.58% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.57% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.89% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.11% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.95% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.43% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.03% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.22% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.14% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.91% | 93.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.75% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.67% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.64% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.27% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.93% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.69% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 76028788 |
| LOTUS | LTS0132021 |
| wikiData | Q105100337 |