[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2,3-dihydroxy-3-methylpentanoate
| Internal ID | 8b32b25f-db99-4b23-a387-49f9699792ee |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2,3-dihydroxy-3-methylpentanoate |
| SMILES (Canonical) | CCC(C)(C(C(=O)OCC1CCN2C1CCC2)O)O |
| SMILES (Isomeric) | CC[C@](C)([C@H](C(=O)OC[C@H]1CCN2[C@@H]1CCC2)O)O |
| InChI | InChI=1S/C14H25NO4/c1-3-14(2,18)12(16)13(17)19-9-10-6-8-15-7-4-5-11(10)15/h10-12,16,18H,3-9H2,1-2H3/t10-,11-,12+,14-/m1/s1 |
| InChI Key | NQWNEWFDQVQZAT-NRWUCQMLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H25NO4 |
| Molecular Weight | 271.35 g/mol |
| Exact Mass | 271.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2,3-dihydroxy-3-methylpentanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s8r-235678-hexahydro-1h-pyrrolizin-1-ylmethyl-2r3r-23-dihydroxy-3-methylpentanoate.jpg "2D Structure of [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2,3-dihydroxy-3-methylpentanoate")
| 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 | 99.83% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.49% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.03% | 96.61% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.74% | 93.04% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.15% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.16% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.82% | 90.08% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.24% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.87% | 96.47% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.80% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.51% | 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.
| Euploca strigosa |
| PubChem | 162976928 |
| LOTUS | LTS0038805 |
| wikiData | Q105184155 |