4-[4-(2-Carboxyethenyl)phenoxy]benzoic acid
| Internal ID | ca1628a7-8b5d-4550-9d0a-451b830609ed |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 4-[4-(2-carboxyethenyl)phenoxy]benzoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)O)OC2=CC=C(C=C2)C(=O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)O)OC2=CC=C(C=C2)C(=O)O |
| InChI | InChI=1S/C16H12O5/c17-15(18)10-3-11-1-6-13(7-2-11)21-14-8-4-12(5-9-14)16(19)20/h1-10H,(H,17,18)(H,19,20) |
| InChI Key | FUDSLNJVWJJVFT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H12O5 |
| Molecular Weight | 284.26 g/mol |
| Exact Mass | 284.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 4-[4-(2-Carboxyethenyl)phenoxy]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-2-carboxyethenylphenoxybenzoic-acid.jpg "2D Structure of 4-[4-(2-Carboxyethenyl)phenoxy]benzoic 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 |
|---|---|---|---|---|
| CHEMBL3194 | P02766 | Transthyretin | 95.35% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.91% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.02% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.93% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.77% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.08% | 96.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.15% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.02% | 99.17% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 86.86% | 96.47% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.00% | 91.49% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 83.24% | 87.67% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.96% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.86% | 93.00% |
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.
| Oxalis pes-caprae |
| PubChem | 163028302 |
| LOTUS | LTS0180661 |
| wikiData | Q105001599 |