4-[(E)-2-(1,3-dicarboxypropylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
| Internal ID | 66b1b063-6f04-4e22-a1d4-9434e4e0b50c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | 4-[(E)-2-(1,3-dicarboxypropylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid |
| SMILES (Canonical) | C1C(N=C(C=C1C=CNC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C1C(N=C(C=C1/C=C/NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C14H16N2O8/c17-11(18)2-1-8(12(19)20)15-4-3-7-5-9(13(21)22)16-10(6-7)14(23)24/h3-5,8,10,15H,1-2,6H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/b4-3+ |
| InChI Key | HWOAHVAPMFFSAN-ONEGZZNKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16N2O8 |
| Molecular Weight | 340.28 g/mol |
| Exact Mass | 340.09066547 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-2-(1,3-dicarboxypropylamino)ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-e-2-13-dicarboxypropylaminoethenyl-23-dihydropyridine-26-dicarboxylic-acid.jpg "2D Structure of 4-[(E)-2-(1,3-dicarboxypropylamino)ethenyl]-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.84% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.72% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.68% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.04% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.82% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.93% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.36% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.99% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.72% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.61% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.34% | 99.23% |
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.
| Beta vulgaris |
| Mikania periplocifolia |
| Portulaca grandiflora |
| Portulaca oleracea |
| PubChem | 5315279 |
| LOTUS | LTS0097923 |
| wikiData | Q105174358 |