2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-4-methylpentanoate
| Internal ID | c0094a1c-1273-46d2-830b-27a17537e7a4 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-4-methylpentanoate |
| SMILES (Canonical) | CC(C)CC(C(C)O)(C(=O)OCC1CCN2C1CCC2)O |
| SMILES (Isomeric) | CC(C)CC(C(C)O)(C(=O)OCC1CCN2C1CCC2)O |
| InChI | InChI=1S/C16H29NO4/c1-11(2)9-16(20,12(3)18)15(19)21-10-13-6-8-17-7-4-5-14(13)17/h11-14,18,20H,4-10H2,1-3H3 |
| InChI Key | ZNDZIMBFBJVXSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H29NO4 |
| Molecular Weight | 299.41 g/mol |
| Exact Mass | 299.20965841 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 1.70 |
| 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 | 99.53% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.80% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.78% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.90% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.34% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.34% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.42% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.64% | 90.08% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.06% | 93.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.79% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.32% | 93.04% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.84% | 98.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.83% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.51% | 96.47% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.87% | 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.
To see more specific details click the taxa you are interested in.
| Anchusa strigosa |
| PubChem | 163027972 |
| LOTUS | LTS0088717 |
| wikiData | Q105379997 |