(3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
| Internal ID | 328fc885-43ec-41af-9270-a17eabef0ec7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Hydroxy fatty acids |
| IUPAC Name | (3R)-3-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid |
| SMILES (Canonical) | CC(CC(=O)O)(C(=O)OC)O |
| SMILES (Isomeric) | C[C@@](CC(=O)O)(C(=O)OC)O |
| InChI | InChI=1S/C6H10O5/c1-6(10,3-4(7)8)5(9)11-2/h10H,3H2,1-2H3,(H,7,8)/t6-/m1/s1 |
| InChI Key | VQNKVZAIEXAESZ-ZCFIWIBFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H10O5 |
| Molecular Weight | 162.14 g/mol |
| Exact Mass | 162.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | -0.80 |
| 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 | 95.27% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.40% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.06% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.58% | 94.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.28% | 100.00% |
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.
To see more specific details click the taxa you are interested in.
| Selenicereus undatus |
| PubChem | 131231414 |
| LOTUS | LTS0040994 |
| wikiData | Q105291390 |