2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-methyl-3-(2-phenylacetyl)oxybutanoate
| Internal ID | 9892b1db-addb-410e-a5cb-1a32ed11ddc3 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-methyl-3-(2-phenylacetyl)oxybutanoate |
| SMILES (Canonical) | CC(C(C)(C(=O)OCC1CCN2C1CCC2)O)OC(=O)CC3=CC=CC=C3 |
| SMILES (Isomeric) | CC(C(C)(C(=O)OCC1CCN2C1CCC2)O)OC(=O)CC3=CC=CC=C3 |
| InChI | InChI=1S/C21H29NO5/c1-15(27-19(23)13-16-7-4-3-5-8-16)21(2,25)20(24)26-14-17-10-12-22-11-6-9-18(17)22/h3-5,7-8,15,17-18,25H,6,9-14H2,1-2H3 |
| InChI Key | FRWUADKGCTWWAT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H29NO5 |
| Molecular Weight | 375.50 g/mol |
| Exact Mass | 375.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 76.10 Ų |
| XlogP | 2.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.87% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.43% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.24% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.82% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.57% | 93.03% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 87.72% | 90.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.04% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.89% | 96.47% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.37% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.30% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.62% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.09% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.55% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.44% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 81.85% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.85% | 98.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.08% | 97.14% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.97% | 91.43% |
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 lobata |
| PubChem | 21580464 |
| LOTUS | LTS0139008 |
| wikiData | Q105000477 |