Violaceimide D
| Internal ID | 33904ee6-912e-428d-b249-ce5c83236668 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | methyl (2S)-3-(2-methoxy-2-oxoethyl)sulfanyl-2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H17NO6S/c1-7-4-9(14)13(11(7)16)8(12(17)19-3)5-20-6-10(15)18-2/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1 |
| InChI Key | BUXVSVOUZGWQRH-HTQZYQBOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H17NO6S |
| Molecular Weight | 303.33 g/mol |
| Exact Mass | 303.07765844 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 0.20 |
| methyl (2S)-3-(2-methoxy-2-oxoethyl)sulfanyl-2-((3R)-3-methyl-2,5-dioxopyrrolidin-1-yl)propanoate |
| methyl (2S)-3-(2-methoxy-2-oxoethyl)sulfanyl-2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate |
| RefChem:194357 |
| CHEBI:217969 |
| methyl (2S)-3-(2-methoxy-2-oxoethyl)sulanyl-2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate |
| 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 | 97.88% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.29% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.86% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.26% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.24% | 97.25% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.57% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.03% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.42% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.24% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.68% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.99% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 139591260 |
| LOTUS | LTS0085510 |
| wikiData | Q104946386 |