[(1R,2S,8S)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
| Internal ID | 9960f0f1-9aa6-4552-927b-887274f810c8 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | [(1R,2S,8S)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H21NO3/c1-9(2)6-13(16)17-8-10-11-4-3-5-14(11)7-12(10)15/h6,10-12,15H,3-5,7-8H2,1-2H3/t10-,11-,12+/m0/s1 |
| InChI Key | BZRLPHQZAKGEOT-SDDRHHMPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.31 g/mol |
| Exact Mass | 239.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,8S)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r2s8s-2-hydroxy-235678-hexahydro-1h-pyrrolizin-1-ylmethyl-3-methylbut-2-enoate.jpg "2D Structure of [(1R,2S,8S)-2-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate")
| 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 | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.12% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.43% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.52% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.03% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.84% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.03% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.61% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.22% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.03% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.59% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.25% | 94.33% |
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 | 162989448 |
| LOTUS | LTS0150453 |
| wikiData | Q104950653 |