alpha-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxofuran-2(5H)-ylidene]-3,4-dihydroxybenzeneacetic acid
| Internal ID | 50b0a0ad-7e13-4be9-9dee-7f713582dcc5 |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-2-[4-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetic acid |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=C(C(=C(C3=CC(=C(C=C3)O)O)C(=O)O)OC2=O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=C(C(=C(C3=CC(=C(C=C3)O)O)C(=O)O)OC2=O)O)O)O |
| InChI | InChI=1S/C18H12O9/c19-9-3-1-7(5-11(9)21)13-15(23)16(27-18(13)26)14(17(24)25)8-2-4-10(20)12(22)6-8/h1-6,19-23H,(H,24,25) |
| InChI Key | MRRYHTCWZKZVIH-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H12O9 |
| Molecular Weight | 372.30 g/mol |
| Exact Mass | 372.04813196 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of alpha-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxofuran-2(5H)-ylidene]-3,4-dihydroxybenzeneacetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxyphenyl-2-4-34-dihydroxyphenyl-3-hydroxy-5-oxofuran-2-ylideneacetic-acid.jpg "2D Structure of alpha-[4-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxofuran-2(5H)-ylidene]-3,4-dihydroxybenzeneacetic 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.25% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.80% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.96% | 95.56% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.58% | 87.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.24% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.04% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.81% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 82.59% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.44% | 83.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.34% | 99.15% |
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.
| There are no matching plants. |
| PubChem | 163037173 |
| LOTUS | LTS0082020 |
| wikiData | Q104172012 |