2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-(1-acetyloxyethyl)-2-hydroxy-3-methylbutanoate
| Internal ID | 69690496-5961-457d-a552-f028b25be2f3 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-(1-acetyloxyethyl)-2-hydroxy-3-methylbutanoate |
| SMILES (Canonical) | CC(C)C(C(C)OC(=O)C)(C(=O)OCC1CCN2C1CCC2)O |
| SMILES (Isomeric) | CC(C)C(C(C)OC(=O)C)(C(=O)OCC1CCN2C1CCC2)O |
| InChI | InChI=1S/C17H29NO5/c1-11(2)17(21,12(3)23-13(4)19)16(20)22-10-14-7-9-18-8-5-6-15(14)18/h11-12,14-15,21H,5-10H2,1-4H3 |
| InChI Key | OPIPQZJQFXCYJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H29NO5 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.08% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.23% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.48% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.21% | 93.04% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.04% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.22% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.18% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.14% | 98.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.02% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.25% | 93.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.27% | 99.18% |
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.
| Heliotropium floridum |
| PubChem | 85274135 |
| LOTUS | LTS0124549 |
| wikiData | Q105196330 |