(4S)-2-[1-hydroxy-1-[2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
| Internal ID | 401a24d9-2eff-40a9-af86-0b34eb7de3d7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (4S)-2-[1-hydroxy-1-[2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid |
| SMILES (Canonical) | CC1(CSC(=N1)C(C)(C)C(C2CSC(N2)C3CSC(=N3)C4=CC=CC=C4O)O)C(=O)O |
| SMILES (Isomeric) | C[C@@]1(CSC(=N1)C(C)(C)C(C2CSC(N2)C3CSC(=N3)C4=CC=CC=C4O)O)C(=O)O |
| InChI | InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12?,13?,15?,17?,21-/m1/s1 |
| InChI Key | JHYVWAMMAMCUIR-AUKMGCJBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27N3O4S3 |
| Molecular Weight | 481.70 g/mol |
| Exact Mass | 481.11636987 g/mol |
| Topological Polar Surface Area (TPSA) | 190.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (4S)-2-[1-hydroxy-1-[2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/63ef23b0-855e-11ee-9cb3-9179ed734651.jpg "2D Structure of (4S)-2-[1-hydroxy-1-[2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-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 | 97.63% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.47% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.03% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.58% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.18% | 94.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.64% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.61% | 94.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.13% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.29% | 98.75% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.68% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.19% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.73% | 99.15% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.84% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.47% | 94.75% |
| CHEMBL5028 | O14672 | ADAM10 | 82.60% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.14% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.15% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.15% | 89.00% |
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 | 138111648 |
| LOTUS | LTS0204836 |
| wikiData | Q105128817 |