Gymnastatin S
| Internal ID | adc7a1a5-3802-4bdf-a1a3-286375260d4a |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Tyrosine and derivatives |
| IUPAC Name | (3R,4E,6E)-8-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3,5-dimethyl-8-oxoocta-4,6-dienoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H23NO6/c1-12(9-13(2)10-18(23)24)3-8-17(22)20-16(19(25)26)11-14-4-6-15(21)7-5-14/h3-9,13,16,21H,10-11H2,1-2H3,(H,20,22)(H,23,24)(H,25,26)/b8-3+,12-9+/t13-,16?/m0/s1 |
| InChI Key | QDUUNHXRESPFEU-UPEYRWOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H23NO6 |
| Molecular Weight | 361.40 g/mol |
| Exact Mass | 361.15253745 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 2.60 |
| CHEMBL3402605 |
| CHEBI:202626 |
| (3R,4E,6E)-8-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3,5-dimethyl-8-oxoocta-4,6-dienoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.19% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 96.30% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.92% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.29% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.85% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.58% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.23% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.80% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.31% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.15% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.26% | 95.56% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 84.32% | 89.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.65% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.95% | 94.73% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.69% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.67% | 97.21% |
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 | 118729207 |
| LOTUS | LTS0209731 |
| wikiData | Q77372507 |