5-[3-Hydroxy-2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid
| Internal ID | 48009848-fdad-43a9-b6fb-d15c191c2758 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyl alcohols |
| IUPAC Name | 5-[3-hydroxy-2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid |
| SMILES (Canonical) | C1=CC(=C(C(=C1)O)CO)C=CC=CC(=O)O |
| SMILES (Isomeric) | C1=CC(=C(C(=C1)O)CO)C=CC=CC(=O)O |
| InChI | InChI=1S/C12H12O4/c13-8-10-9(5-3-6-11(10)14)4-1-2-7-12(15)16/h1-7,13-14H,8H2,(H,15,16) |
| InChI Key | NSPBQWWJVCMMMM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.22 g/mol |
| Exact Mass | 220.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 5-[3-Hydroxy-2-(hydroxymethyl)phenyl]penta-2,4-dienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5-3-hydroxy-2-hydroxymethylphenylpenta-24-dienoic-acid.jpg "2D Structure of 5-[3-Hydroxy-2-(hydroxymethyl)phenyl]penta-2,4-dienoic 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 | 94.83% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.39% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.39% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.82% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.17% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.07% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.64% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.57% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.11% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.00% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 163032828 |
| LOTUS | LTS0076312 |
| wikiData | Q104179967 |