4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
| Internal ID | cab17bf8-e10e-475c-b826-23de458828f6 |
| 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-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid |
| SMILES (Canonical) | C1C(NC(=CC1=CC=NCCC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O |
| SMILES (Isomeric) | C1C(NC(=CC1=CC=NCCC2=CC(=C(C=C2)O)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25) |
| InChI Key | PDKFHZWVCCZUIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18N2O6 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.11648630 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-2-34-dihydroxyphenylethyliminoethylidene-23-dihydro-1h-pyridine-26-dicarboxylic-acid.jpg "2D Structure of 4-[2-[2-(3,4-dihydroxyphenyl)ethylimino]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.49% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.33% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.85% | 96.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.84% | 97.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.24% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 89.48% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.97% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.13% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.76% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.54% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.49% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.90% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.19% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.03% | 97.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.40% | 89.67% |
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 |
| Celosia argentea |
| Portulaca grandiflora |
| PubChem | 135499074 |
| LOTUS | LTS0222707 |
| wikiData | Q105206564 |