4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
| Internal ID | 4377f272-6ff8-4d54-9601-36b8c141fec9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | (4Z)-4-[2-(1-carboxy-3-methylsulfinylpropyl)iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2+,15-4? |
| InChI Key | KRWNKOCPQBHMPM-FNHXKPTKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H18N2O7S |
| Molecular Weight | 358.37 g/mol |
| Exact Mass | 358.08347209 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | -0.90 |
| AC1NQY69 |
| 4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
![2D Structure of 4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-e-2-1-carboxy-3-methylsulfinyl-propylaminovinyl-23-dihydropyridine-26-dicarboxylic-acid.jpg "2D Structure of 4-[(E)-2-[(1-carboxy-3-methylsulfinyl-propyl)amino]vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid")
| 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 | 96.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.79% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.00% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.82% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.71% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.63% | 96.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.81% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.29% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.60% | 97.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.04% | 97.21% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 81.05% | 95.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.17% | 98.75% |
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.
| Portulaca pilosa |
| PubChem | 135909833 |
| LOTUS | LTS0073996 |
| wikiData | Q104388560 |