(2R,4R,5R)-5-hydroxy-4-(hydroxymethyl)-2-methyl-1,3-dioxane-2-carboxylic acid
| Internal ID | e3655def-b675-49d6-825a-bdc3235c1f74 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (2R,4R,5R)-5-hydroxy-4-(hydroxymethyl)-2-methyl-1,3-dioxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H12O6/c1-7(6(10)11)12-3-4(9)5(2-8)13-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,7-/m1/s1 |
| InChI Key | WRIRJVDXCHWRSC-WYDQCIBASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H12O6 |
| Molecular Weight | 192.17 g/mol |
| Exact Mass | 192.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | -1.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.18% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.36% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.54% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.57% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.92% | 97.09% |
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 | 162900014 |
| LOTUS | LTS0185111 |
| wikiData | Q105311329 |