(2S)-5-amino-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]-5-oxopentanoic acid
| Internal ID | 1914707c-f17c-4f40-b9c1-b9b10d112e12 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamine and derivatives |
| IUPAC Name | (2S)-5-amino-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | COC1=C(CC(CC1=O)(CO)O)NC(CCC(=O)N)C(=O)O |
| SMILES (Isomeric) | COC1=C(CC(CC1=O)(CO)O)N[C@@H](CCC(=O)N)C(=O)O |
| InChI | InChI=1S/C13H20N2O7/c1-22-11-8(4-13(21,6-16)5-9(11)17)15-7(12(19)20)2-3-10(14)18/h7,15-16,21H,2-6H2,1H3,(H2,14,18)(H,19,20)/t7-,13?/m0/s1 |
| InChI Key | SXISJFYKHXHKLN-OGUFLRPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H20N2O7 |
| Molecular Weight | 316.31 g/mol |
| Exact Mass | 316.12705098 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (2S)-5-amino-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]-5-oxopentanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6d164630-85a8-11ee-adb5-73b1a99c7d8a.jpg "2D Structure of (2S)-5-amino-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]-5-oxopentanoic 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 | 97.04% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.94% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.38% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.58% | 95.56% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.79% | 98.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.24% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.82% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.66% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.46% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.31% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.10% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.71% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.83% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.77% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.72% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.92% | 96.47% |
| CHEMBL5028 | O14672 | ADAM10 | 80.90% | 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 | 101835612 |
| LOTUS | LTS0236168 |
| wikiData | Q104393521 |