(2S)-3,4-dimethyl-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid
| Internal ID | 2c1b5ec0-903c-4dfb-bc2b-9eafbb3cefb9 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (2S)-3,4-dimethyl-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H18N2O3S2/c1-15(14(19)20)8-22-13(17(15)2)10-7-21-12(16-10)9-5-3-4-6-11(9)18/h3-6,10,13,16H,7-8H2,1-2H3,(H,19,20)/b12-9+/t10?,13-,15?/m0/s1 |
| InChI Key | HIKAKPGMRFRQTC-LFZCFRFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18N2O3S2 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.07588479 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2S)-3,4-dimethyl-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3f810150-8662-11ee-9393-e99b265ac046.jpg "2D Structure of (2S)-3,4-dimethyl-2-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidin-4-yl]-1,3-thiazolidine-4-carboxylic 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 | 97.59% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.68% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.67% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.65% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.47% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.42% | 93.00% |
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.
| There are no matching plants. |
| PubChem | 5748847 |
| LOTUS | LTS0191008 |
| wikiData | Q105109736 |