(2S)-4-Formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid
| Internal ID | 3d46ad57-464a-47ad-bae3-6d84baf30f62 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids |
| IUPAC Name | (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H9NO5/c11-4-5-1-2-6(8(12)13)10-7(3-5)9(14)15/h1-2,4,7,10H,3H2,(H,12,13)(H,14,15)/t7-/m0/s1 |
| InChI Key | SRDYVCBFNUJKKW-ZETCQYMHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.17 g/mol |
| Exact Mass | 211.04807239 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.10 |
| (2S)-4-formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid |
| (S)-4-Formyl-2,3-dihydro-1H-azepine-2,7-dicarboxylic acid |
| DTXSID70564225 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.06% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.79% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.11% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.01% | 98.95% |
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 | 14803860 |
| LOTUS | LTS0135414 |
| wikiData | Q82448847 |