2,3,4-Trihydroxy-5-methoxy-6-oxohexanoic acid
| Internal ID | 3c7cf386-ee7d-4e26-8785-a738b7394474 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Sugar acids and derivatives > Glucuronic acid derivatives |
| IUPAC Name | 2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C7H12O7/c1-14-3(2-8)4(9)5(10)6(11)7(12)13/h2-6,9-11H,1H3,(H,12,13) |
| InChI Key | HCQISUFWFYMWKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H12O7 |
| Molecular Weight | 208.17 g/mol |
| Exact Mass | 208.05830272 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | -2.00 |
| 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 | 92.15% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.44% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.21% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.56% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.75% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.13% | 98.95% |
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.
| Sterculia setigera |
| PubChem | 18539475 |
| LOTUS | LTS0041562 |
| wikiData | Q105025920 |