22-[3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyloxy]docosanoic acid
| Internal ID | 9efd8f3f-8cba-4203-baf8-128f04ad56bb |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 22-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]docosanoic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CC(=O)OCCCCCCCCCCCCCCCCCCCCCC(=O)O)O |
| InChI | InChI=1S/C32H52O6/c1-37-30-27-28(22-24-29(30)33)23-25-32(36)38-26-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-31(34)35/h22-25,27,33H,2-21,26H2,1H3,(H,34,35) |
| InChI Key | RNKDQPOFWZGWEJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O6 |
| Molecular Weight | 532.80 g/mol |
| Exact Mass | 532.37638937 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 11.10 |
| There are no found synonyms. |
![2D Structure of 22-[3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyloxy]docosanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/22-3-4-hydroxy-3-methoxyphenylprop-2-enoyloxydocosanoic-acid.jpg "2D Structure of 22-[3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyloxy]docosanoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.80% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.05% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.81% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 96.33% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.24% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.25% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.67% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.21% | 91.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.45% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.36% | 94.45% |
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.
| Dioscorea bulbifera |
| Greigia sphacelata |
| PubChem | 54275916 |
| LOTUS | LTS0073460 |
| wikiData | Q105241472 |