[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | b0a143cc-b1a7-4160-ade8-32d672245b99 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C20H18O6/c1-25-19-12-15(5-10-18(19)23)4-9-17(22)13-26-20(24)11-6-14-2-7-16(21)8-3-14/h2-12,21,23H,13H2,1H3/b9-4+,11-6+ |
| InChI Key | BJZHFDWMVXWBJF-WOARVNPXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O6 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.30 |
| SCHEMBL17019806 |
![2D Structure of [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/e-4-4-hydroxy-3-methoxyphenyl-2-oxobut-3-enyl-e-3-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxyphenyl)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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.11% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.18% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.11% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.98% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.71% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.87% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.44% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.51% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.33% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.18% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.95% | 91.71% |
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.
| Curcuma longa |
| PubChem | 9841508 |
| LOTUS | LTS0225118 |
| wikiData | Q104937449 |