Dehydrochorismic acid
| Internal ID | 1ca52346-e744-4b7b-b091-ebff29b73bfd |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenoxyacetic acid derivatives |
| IUPAC Name | 3-(1-carboxyethenoxy)-4-hydroxybenzoic acid |
| SMILES (Canonical) | C=C(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)O |
| SMILES (Isomeric) | C=C(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)O |
| InChI | InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15) |
| InChI Key | LKNPFOZIOWXDQS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H8O6 |
| Molecular Weight | 224.17 g/mol |
| Exact Mass | 224.03208797 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.70 |
| 3-(1-Carboxyvinyl)benzoic acid |
| SCHEMBL13672445 |
| CHEBI:174146 |
| DTXSID401243643 |
| 81757-66-6 |
| 3-(1-carboxyethenoxy)-4-hydroxybenzoic acid |
| 3-(1-Carboxyvinyloxy)-4-hydroxybenzoic acid |
| 3-(1-carboxyvinyloxy)-4-hydroxy-benzoic acid |
| 3-[(1-carboxyvinyl)oxy]-4-hydroxybenzoic acid |
| 3-[(1-Carboxyethenyl)oxy]-4-hydroxybenzoic acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.86% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.78% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.19% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.90% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.16% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.42% | 90.20% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.08% | 91.49% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.82% | 96.95% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 83.78% | 95.71% |
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.
| Aster indicus |
| Pinus densiflora |
| PubChem | 9920917 |
| LOTUS | LTS0078243 |
| wikiData | Q105153165 |