3-Hydroxy-3-methoxycarbonyl-5-oxooxolane-2-carboxylic acid
| Internal ID | acab877e-fb3d-4a68-b137-61230adb19a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | 3-hydroxy-3-methoxycarbonyl-5-oxooxolane-2-carboxylic acid |
| SMILES (Canonical) | COC(=O)C1(CC(=O)OC1C(=O)O)O |
| SMILES (Isomeric) | COC(=O)C1(CC(=O)OC1C(=O)O)O |
| InChI | InChI=1S/C7H8O7/c1-13-6(11)7(12)2-3(8)14-4(7)5(9)10/h4,12H,2H2,1H3,(H,9,10) |
| InChI Key | KOTWVBLTBCURNN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H8O7 |
| Molecular Weight | 204.13 g/mol |
| Exact Mass | 204.02700259 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.81% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.82% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.74% | 91.19% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.13% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.64% | 83.82% |
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.
| Hibiscus sabdariffa |
| PubChem | 85069821 |
| LOTUS | LTS0138362 |
| wikiData | Q105143992 |