[1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
| Internal ID | 596134ee-c671-4e51-a0cb-32cdf69ac059 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [1-[2-[hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O8/c1-12(29-20(25)9-7-13-6-8-17(28-2)16(23)10-13)21(26)14-11-15(14)22(27)18-4-3-5-19(24)30-18/h3,5-10,12,14-15,18,22-23,27H,4,11H2,1-2H3 |
| InChI Key | BDIGJZNTLJAZGG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/a7c842b0-83ea-11ee-bc25-e79577fef548.jpg "2D Structure of [1-[2-[Hydroxy-(6-oxo-2,3-dihydropyran-2-yl)methyl]cyclopropyl]-1-oxopropan-2-yl] 3-(3-hydroxy-4-methoxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.76% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.26% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.19% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.66% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.12% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.55% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 90.91% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.29% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.51% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.27% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.43% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.82% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.46% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.41% | 92.88% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.37% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.93% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.30% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.38% | 89.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.17% | 98.95% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 83.68% | 83.10% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 82.99% | 98.57% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.06% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.57% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.74% | 91.19% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 78096913 |
| LOTUS | LTS0129984 |
| wikiData | Q103816656 |