methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate
Internal ID | 53b704c7-3830-45e7-b42f-68e6601fa37c |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
IUPAC Name | methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate |
SMILES (Canonical) | CCC1CC(OC1=O)(C)C(C)(C(=O)OC)O |
SMILES (Isomeric) | CC[C@@H]1C[C@](OC1=O)(C)[C@@](C)(C(=O)OC)O |
InChI | InChI=1S/C11H18O5/c1-5-7-6-10(2,16-8(7)12)11(3,14)9(13)15-4/h7,14H,5-6H2,1-4H3/t7-,10-,11-/m1/s1 |
InChI Key | PAZKVHTZNPAXBQ-AVPPRXQKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C11H18O5 |
Molecular Weight | 230.26 g/mol |
Exact Mass | 230.11542367 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 0.80 |
There are no found synonyms. |
![2D Structure of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate 2D Structure of methyl (2S)-2-[(2R,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2s-2-2r4r-4-ethyl-2-methyl-5-oxooxolan-2-yl-2-hydroxypropanoate.jpg)
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.85% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.19% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.77% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.18% | 96.77% |
CHEMBL2581 | P07339 | Cathepsin D | 88.86% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.07% | 97.14% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.47% | 92.88% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.36% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.01% | 92.62% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.66% | 94.33% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.12% | 95.71% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.92% | 96.38% |
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.
Ligularia dentata |
PubChem | 162871474 |
LOTUS | LTS0071268 |
wikiData | Q105204979 |