Methyl levulinate
| Internal ID | 04d2141c-b956-4836-994c-7a89bda1172b |
| Taxonomy | Organic acids and derivatives > Keto acids and derivatives > Gamma-keto acids and derivatives |
| IUPAC Name | methyl 4-oxopentanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3 |
| InChI Key | UAGJVSRUFNSIHR-UHFFFAOYSA-N |
| Popularity | 172 references in papers |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.14 g/mol |
| Exact Mass | 130.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | -0.10 |
| 624-45-3 |
| Methyl 4-oxopentanoate |
| Pentanoic acid, 4-oxo-, methyl ester |
| Levulinic acid, methyl ester |
| NSC-24874 |
| 3Q95S830W6 |
| FEMA NO. 4478 |
| DTXSID80211455 |
| methyl-4-oxovalerate |
| methyl-4-oxopentanoate |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.17% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.38% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.42% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.14% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.08% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.04% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.30% | 94.00% |
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.
| Astragalus trimestris |
| PubChem | 69354 |
| LOTUS | LTS0222523 |
| wikiData | Q27257899 |