(2S,3R,4S)-3-hydroxy-2,4-dimethyl-6-[[(E)-2-methylpent-2-enoyl]amino]-5-oxohexanoic acid
| Internal ID | 4f22d4fc-751c-43a5-9c0b-8ee1c43636e5 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives |
| IUPAC Name | (2S,3R,4S)-3-hydroxy-2,4-dimethyl-6-[[(E)-2-methylpent-2-enoyl]amino]-5-oxohexanoic acid |
| SMILES (Canonical) | CCC=C(C)C(=O)NCC(=O)C(C)C(C(C)C(=O)O)O |
| SMILES (Isomeric) | CC/C=C(\C)/C(=O)NCC(=O)[C@@H](C)[C@H]([C@H](C)C(=O)O)O |
| InChI | InChI=1S/C14H23NO5/c1-5-6-8(2)13(18)15-7-11(16)9(3)12(17)10(4)14(19)20/h6,9-10,12,17H,5,7H2,1-4H3,(H,15,18)(H,19,20)/b8-6+/t9-,10+,12-/m1/s1 |
| InChI Key | XORVWYNBNOAZOC-SQQAWJSFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H23NO5 |
| Molecular Weight | 285.34 g/mol |
| Exact Mass | 285.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S)-3-hydroxy-2,4-dimethyl-6-[[(E)-2-methylpent-2-enoyl]amino]-5-oxohexanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2s3r4s-3-hydroxy-24-dimethyl-6-e-2-methylpent-2-enoylamino-5-oxohexanoic-acid.jpg "2D Structure of (2S,3R,4S)-3-hydroxy-2,4-dimethyl-6-[[(E)-2-methylpent-2-enoyl]amino]-5-oxohexanoic 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 | 96.17% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.37% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.18% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.80% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.02% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.44% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.49% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.14% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.64% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.39% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.75% | 94.73% |
| CHEMBL3308 | P55212 | Caspase-6 | 83.39% | 97.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.94% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.80% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.58% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.16% | 85.14% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.65% | 80.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.45% | 96.95% |
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.
| Alpinia formosana |
| Alpinia zerumbet |
| Curcuma mangga |
| PubChem | 163115391 |
| LOTUS | LTS0257350 |
| wikiData | Q105022498 |