(E,4R)-4-hydroxy-2-methyl-N-[(8S)-1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl]pent-2-enamide
| Internal ID | 4d875048-3790-41c2-9877-54ff980bd449 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizines |
| IUPAC Name | (E,4R)-4-hydroxy-2-methyl-N-[(8S)-1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl]pent-2-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H18N2O3/c1-8(6-9(2)16)13(18)14-12-7-11(17)10-4-3-5-15(10)12/h6-7,9-10,16H,3-5H2,1-2H3,(H,14,18)/b8-6+/t9-,10+/m1/s1 |
| InChI Key | DENFRHXGWKFHRX-ZQMPTTJKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.13174244 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (E,4R)-4-hydroxy-2-methyl-N-[(8S)-1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl]pent-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e4r-4-hydroxy-2-methyl-n-8s-1-oxo-5678-tetrahydropyrrolizin-3-ylpent-2-enamide.jpg "2D Structure of (E,4R)-4-hydroxy-2-methyl-N-[(8S)-1-oxo-5,6,7,8-tetrahydropyrrolizin-3-yl]pent-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 | 99.15% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.62% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.24% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.21% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.17% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.61% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.45% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.79% | 94.00% |
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 | 163103812 |
| LOTUS | LTS0125370 |
| wikiData | Q104977390 |