5S-hydroxynorvaline-S-Ile
| Internal ID | 9f7f3035-64b5-48a3-8594-1d7c02a175c1 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids |
| IUPAC Name | (3S,6S)-3-[(2S)-butan-2-yl]-6-(3-hydroxypropyl)piperazine-2,5-dione |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)N1)CCCO |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N1)CCCO |
| InChI | InChI=1S/C11H20N2O3/c1-3-7(2)9-11(16)12-8(5-4-6-14)10(15)13-9/h7-9,14H,3-6H2,1-2H3,(H,12,16)(H,13,15)/t7-,8-,9-/m0/s1 |
| InChI Key | PWIAWDVLQXARBI-CIUDSAMLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C11H20N2O3 |
| Molecular Weight | 228.29 g/mol |
| Exact Mass | 228.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 78.40 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
| 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 | 95.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.59% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.34% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.11% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.10% | 90.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.27% | 97.29% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.07% | 95.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.00% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.93% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.08% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.13% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.91% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.71% | 92.88% |
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 | 146684494 |
| LOTUS | LTS0059603 |
| wikiData | Q105215853 |