(E,4R)-4-hydroxy-N-[(8S)-8-hydroxy-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-2-methylpent-2-enamide
| Internal ID | de6f9122-e2cf-431d-837b-fd8e77fe8e07 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizines |
| IUPAC Name | (E,4R)-4-hydroxy-N-[(8S)-8-hydroxy-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-2-methylpent-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H18N2O4/c1-8(6-9(2)16)12(18)14-11-7-10(17)13(19)4-3-5-15(11)13/h6-7,9,16,19H,3-5H2,1-2H3,(H,14,18)/b8-6+/t9-,13+/m1/s1 |
| InChI Key | NYTQGZMVBWBCMT-KEGLBNERSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H18N2O4 |
| Molecular Weight | 266.29 g/mol |
| Exact Mass | 266.12665706 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of (E,4R)-4-hydroxy-N-[(8S)-8-hydroxy-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-2-methylpent-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e4r-4-hydroxy-n-8s-8-hydroxy-1-oxo-67-dihydro-5h-pyrrolizin-3-yl-2-methylpent-2-enamide.jpg "2D Structure of (E,4R)-4-hydroxy-N-[(8S)-8-hydroxy-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-2-methylpent-2-enamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.88% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.53% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.96% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.00% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.91% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.36% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.74% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.05% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.23% | 99.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.89% | 91.03% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.88% | 94.42% |
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 | 163105315 |
| LOTUS | LTS0061925 |
| wikiData | Q105187677 |