(E)-3-[4-acetyloxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
| Internal ID | 53461436-5ee7-4c8d-825f-63694746f98b |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acids |
| IUPAC Name | (E)-3-[4-acetyloxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid |
| SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1OC(=O)C)CC=C(C)C)C=CC(=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1OC(=O)C)CC=C(C)C)/C=C/C(=O)O)C |
| InChI | InChI=1S/C21H26O4/c1-14(2)6-9-18-12-17(8-11-20(23)24)13-19(10-7-15(3)4)21(18)25-16(5)22/h6-8,11-13H,9-10H2,1-5H3,(H,23,24)/b11-8+ |
| InChI Key | YIJFXHBHKCTAET-DHZHZOJOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (E)-3-[4-acetyloxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e-3-4-acetyloxy-35-bis3-methylbut-2-enylphenylprop-2-enoic-acid.jpg "2D Structure of (E)-3-[4-acetyloxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic 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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.17% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.64% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.44% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.34% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.04% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.75% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.93% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.64% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.28% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.19% | 96.95% |
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.
| Baccharis polifolia |
| PubChem | 14733611 |
| LOTUS | LTS0126364 |
| wikiData | Q105348866 |