(2S)-2-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]butanedioic acid
| Internal ID | 04017506-5490-422d-af03-783cd727e0bd |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | (2S)-2-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H14O8/c15-10-4-1-9(2-5-10)3-6-12(18)22-8-14(21,13(19)20)7-11(16)17/h1-6,15,21H,7-8H2,(H,16,17)(H,19,20)/b6-3+/t14-/m0/s1 |
| InChI Key | HYKWTTSTHYCYEH-ZRFDWSJLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H14O8 |
| Molecular Weight | 310.26 g/mol |
| Exact Mass | 310.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (2S)-2-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]butanedioic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-hydroxy-2-e-3-4-hydroxyphenylprop-2-enoyloxymethylbutanedioic-acid.jpg "2D Structure of (2S)-2-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]butanedioic 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.13% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.82% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.11% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.82% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 88.09% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.86% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.05% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.82% | 94.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.22% | 91.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.13% | 90.93% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.68% | 89.67% |
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.
| Lilium longiflorum |
| PubChem | 163193197 |
| LOTUS | LTS0167750 |
| wikiData | Q105035359 |