[7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-acetyloxy-2-hydroxy-2-methylbutanoate
| Internal ID | 4a641c7c-efc3-422c-ba54-ef08254ddb4f |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-acetyloxy-2-hydroxy-2-methylbutanoate |
| SMILES (Canonical) | CC(C(C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C=C(C)C)O)OC(=O)C |
| SMILES (Isomeric) | CC(C(C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C=C(C)C)O)OC(=O)C |
| InChI | InChI=1S/C20H29NO7/c1-12(2)10-17(23)28-16-7-9-21-8-6-15(18(16)21)11-26-19(24)20(5,25)13(3)27-14(4)22/h6,10,13,16,18,25H,7-9,11H2,1-5H3 |
| InChI Key | JMRGIGJLHNYTHJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H29NO7 |
| Molecular Weight | 395.40 g/mol |
| Exact Mass | 395.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-acetyloxy-2-hydroxy-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c33fdd30-83f5-11ee-9f2b-e900d092117c.jpg "2D Structure of [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 3-acetyloxy-2-hydroxy-2-methylbutanoate")
| 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 | 97.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.93% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.02% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.14% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.72% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.51% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.10% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.91% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.34% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.76% | 91.11% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.64% | 92.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.63% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.46% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
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.
| Senecio caudatus |
| PubChem | 163024315 |
| LOTUS | LTS0154881 |
| wikiData | Q105131604 |