3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide
| Internal ID | 6fb21ced-9eb0-4a48-8770-2179e1b0c702 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters |
| IUPAC Name | 3-[2-oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide |
| SMILES (Canonical) | C1C(OC(=O)C(N1)CCC(=O)N)C(C(C(CO)O)O)O |
| SMILES (Isomeric) | C1C(OC(=O)C(N1)CCC(=O)N)C(C(C(CO)O)O)O |
| InChI | InChI=1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16) |
| InChI Key | HCWLJSDMOMMDRF-UHFFFAOYSA-N |
| Popularity | 29 references in papers |
| Molecular Formula | C11H20N2O7 |
| Molecular Weight | 292.29 g/mol |
| Exact Mass | 292.12705098 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | -3.70 |
| 3-[2-oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide |
| NSC648762 |
| 3-(2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)-3-morpholinyl)propanamide |
| 3-Morpholinepropanamide, 2-oxo-6-(1,2,3, 4-tetrahydroxybutyl)-, {[3S-[3.alpha.,6.alpha.(1R*,2S*,3S*)]]-} |
![2D Structure of 3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-oxo-6-1234-tetrahydroxybutylmorpholin-3-ylpropanamide.jpg "2D Structure of 3-[2-Oxo-6-(1,2,3,4-tetrahydroxybutyl)morpholin-3-yl]propanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.45% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.53% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.06% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.78% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.77% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.18% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.42% | 85.14% |
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.
| Salvia miltiorrhiza |
| PubChem | 495284 |
| LOTUS | LTS0072322 |
| wikiData | Q104391420 |