4-[2-(4-carboxybutylimino)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
| Internal ID | d8af9d0b-6214-464c-a365-760aae49d2fb |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids |
| IUPAC Name | 4-[2-(4-carboxybutylimino)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18N2O6/c17-12(18)3-1-2-5-15-6-4-9-7-10(13(19)20)16-11(8-9)14(21)22/h4,6-7,11,16H,1-3,5,8H2,(H,17,18)(H,19,20)(H,21,22) |
| InChI Key | VXIQOTIGSPWYFY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18N2O6 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.11648630 g/mol |
| Topological Polar Surface Area (TPSA) | 136.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of 4-[2-(4-carboxybutylimino)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-4-carboxybutyliminoethylidene-23-dihydro-1h-pyridine-26-dicarboxylic-acid.jpg "2D Structure of 4-[2-(4-carboxybutylimino)ethylidene]-2,3-dihydro-1H-pyridine-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.48% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.60% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.82% | 83.82% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.05% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.75% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.45% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.05% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.73% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.06% | 89.34% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.19% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.23% | 99.23% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.12% | 100.00% |
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.
| Selenicereus ocamponis |
| PubChem | 163012510 |
| LOTUS | LTS0069094 |
| wikiData | Q105298527 |