4-Methylaeruginoic acid
| Internal ID | 612776d4-cbb1-4d00-bcf6-2ca96c537bc8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (4S)-2-(2-hydroxyphenyl)-4-methyl-5H-1,3-thiazole-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H11NO3S/c1-11(10(14)15)6-16-9(12-11)7-4-2-3-5-8(7)13/h2-5,13H,6H2,1H3,(H,14,15)/t11-/m1/s1 |
| InChI Key | OXCVIPGXPILNPT-LLVKDONJSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C11H11NO3S |
| Molecular Weight | 237.28 g/mol |
| Exact Mass | 237.04596439 g/mol |
| Topological Polar Surface Area (TPSA) | 95.20 Ų |
| XlogP | 1.60 |
| CHEBI:66368 |
| (4S)-2-(2-hydroxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| CHEMBL311793 |
| SCHEMBL1534230 |
| OXCVIPGXPILNPT-LLVKDONJSA-N |
| Q27134917 |
| (S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-methyl-4-thiazolecarboxylic acid |
| 4,5-dihydro-2-(2-hydroxyphenyl)-4-methylthiazole-4-(s)-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 | 94.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.13% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.49% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.61% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.95% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.39% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.67% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.43% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.33% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.16% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.70% | 99.15% |
| CHEMBL5028 | O14672 | ADAM10 | 80.20% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 135505743 |
| LOTUS | LTS0040499 |
| wikiData | Q27134917 |