[2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 3ccad3f3-d070-427f-b64e-b96d06036826 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [2-hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCC(COC(=O)C=CC2=CC=C(C=C2)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCC(COC(=O)C=CC2=CC=C(C=C2)O)O)O |
| InChI | InChI=1S/C22H22O8/c1-28-20-12-16(4-9-19(20)25)6-11-22(27)30-14-18(24)13-29-21(26)10-5-15-2-7-17(23)8-3-15/h2-12,18,23-25H,13-14H2,1H3 |
| InChI Key | GRWHNBXHXKFRHQ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-3-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxypropyl-3-4-hydroxyphenylprop-2-enoate.jpg "2D Structure of [2-Hydroxy-3-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]propyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.28% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.93% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.01% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.97% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.50% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.05% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.80% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.43% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.44% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.59% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.01% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.97% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.39% | 95.50% |
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.
| Asparagus officinalis |
| Lilium hansonii |
| Lilium henryi |
| Lilium speciosum |
| PubChem | 72727917 |
| LOTUS | LTS0127977 |
| wikiData | Q105016761 |