Dimethyl malonate
| Internal ID | 06178e6c-8e00-46fc-aec0-bc133b60a15c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | dimethyl propanedioate |
| SMILES (Canonical) | COC(=O)CC(=O)OC |
| SMILES (Isomeric) | COC(=O)CC(=O)OC |
| InChI | InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3 |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Popularity | 916 references in papers |
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.11 g/mol |
| Exact Mass | 132.04225873 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 0.00 |
| 108-59-8 |
| Dimethyl propanedioate |
| Methyl malonate |
| Propanedioic acid, dimethyl ester |
| Malonic Acid Dimethyl Ester |
| 1,3-dimethyl propanedioate |
| MALONIC ACID, DIMETHYL ESTER |
| DTXSID4029145 |
| EM8Y79998C |
| DTXCID309145 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.37% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.21% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.64% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.23% | 99.17% |
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.
| Ananas comosus |
| Astragalus trimestris |
| Jacobaea alpina subsp. samnitum |
| Myrtus communis |
| PubChem | 7943 |
| LOTUS | LTS0062122 |
| wikiData | Q4263082 |