2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate
| Internal ID | b3e56a03-e8a3-43dc-8e09-147d636f6392 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-methyl-3-(2-methylbut-2-enoyloxy)butanoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC(C)C(C)(C(=O)OCC1CCN2C1CCC2)O |
| SMILES (Isomeric) | CC=C(C)C(=O)OC(C)C(C)(C(=O)OCC1CCN2C1CCC2)O |
| InChI | InChI=1S/C18H29NO5/c1-5-12(2)16(20)24-13(3)18(4,22)17(21)23-11-14-8-10-19-9-6-7-15(14)19/h5,13-15,22H,6-11H2,1-4H3 |
| InChI Key | QWLVLKBPONBFQZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29NO5 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.20 |
| 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 | 99.42% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.04% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.70% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.29% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.51% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.21% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.09% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.67% | 97.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.02% | 89.34% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.83% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.96% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.47% | 100.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.33% | 95.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.88% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.34% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.21% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.19% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.00% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.15% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.81% | 94.75% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 80.44% | 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.
| Ipomoea cristulata |
| PubChem | 73804518 |
| LOTUS | LTS0097126 |
| wikiData | Q105229264 |