[2-Hydroxy-2-(4-hydroxyphenyl)ethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | d297f60c-2316-4d1e-9f6c-c5e461de0172 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [2-hydroxy-2-(4-hydroxyphenyl)ethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC(C2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC(C2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C18H18O6/c1-23-17-10-12(2-8-15(17)20)3-9-18(22)24-11-16(21)13-4-6-14(19)7-5-13/h2-10,16,19-21H,11H2,1H3 |
| InChI Key | CLQSQZGNPFWGAE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.30 |
| [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
![2D Structure of [2-Hydroxy-2-(4-hydroxyphenyl)ethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-2-4-hydroxyphenylethyl-3-4-hydroxy-3-methoxyphenylprop-2-enoate.jpg "2D Structure of [2-Hydroxy-2-(4-hydroxyphenyl)ethyl] 3-(4-hydroxy-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.51% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.89% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.77% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.64% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.62% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 93.52% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.66% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.53% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.60% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.80% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.10% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.20% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.03% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.32% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.76% | 89.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.71% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.07% | 95.89% |
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.
| Coriandrum sativum |
| Glehnia littoralis |
| PubChem | 129317246 |
| LOTUS | LTS0098179 |
| wikiData | Q104963827 |