1-[5-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | 970c1c06-f477-4d41-a159-c1ae619febbc |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 1-[5-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O8/c1-12(27-20(25)10-6-13-5-7-14(22)15(23)11-13)16-8-9-18(28-16)21(26)17-3-2-4-19(24)29-17/h2,4-7,10-12,16-18,21-23,26H,3,8-9H2,1H3 |
| InChI Key | QMGPOYYFOFDFEO-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24O8 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 1-[5-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8dd5aaa0-861f-11ee-9ac7-bf3fde52d926.jpg "2D Structure of 1-[5-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.73% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.22% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.90% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.22% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.91% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.69% | 92.88% |
| CHEMBL3194 | P02766 | Transthyretin | 90.33% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.14% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.94% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.50% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.07% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.01% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.13% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.96% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.93% | 95.89% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.57% | 83.10% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 83.44% | 98.57% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.01% | 92.12% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.80% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.95% | 94.73% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.90% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.19% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.79% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.71% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.54% | 93.40% |
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 | 163023827 |
| LOTUS | LTS0210204 |
| wikiData | Q104195960 |