(2S)-2-ethoxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acetic acid
| Internal ID | 48d17ab3-0e4b-4eaa-8753-28210d65153b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzylethers |
| IUPAC Name | (2S)-2-ethoxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acetic acid |
| SMILES (Canonical) | CCOC(C1=CC(=C(C(=C1)CC=C(C)C)O)CC=C(C)C)C(=O)O |
| SMILES (Isomeric) | CCO[C@@H](C1=CC(=C(C(=C1)CC=C(C)C)O)CC=C(C)C)C(=O)O |
| InChI | InChI=1S/C20H28O4/c1-6-24-19(20(22)23)17-11-15(9-7-13(2)3)18(21)16(12-17)10-8-14(4)5/h7-8,11-12,19,21H,6,9-10H2,1-5H3,(H,22,23)/t19-/m0/s1 |
| InChI Key | UEKDFFNJKYTREE-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (2S)-2-ethoxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-ethoxy-2-4-hydroxy-35-bis3-methylbut-2-enylphenylacetic-acid.jpg "2D Structure of (2S)-2-ethoxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]acetic 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 | 96.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.02% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.54% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.70% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.76% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.25% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.50% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.00% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.35% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.92% | 97.21% |
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.
| Eurycorymbus cavaleriei |
| PubChem | 162869208 |
| LOTUS | LTS0184480 |
| wikiData | Q105270967 |