(7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
| Internal ID | c333e5d8-1ef5-4553-9ede-d38fbaa8da2a |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate |
| SMILES (Canonical) | CC(C(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)(C(C)(C)O)O)OC |
| SMILES (Isomeric) | CC(C(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)(C(C)(C)O)O)OC |
| InChI | InChI=1S/C18H29NO7/c1-11(24-5)18(23,17(3,4)22)16(21)25-10-13-6-8-19-9-7-14(15(13)19)26-12(2)20/h6,11,14-15,22-23H,7-10H2,1-5H3 |
| InChI Key | CPLWZJLNDZMNAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H29NO7 |
| Molecular Weight | 371.40 g/mol |
| Exact Mass | 371.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | -0.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.16% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.78% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.05% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.42% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.23% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.40% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.35% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.27% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.87% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.11% | 100.00% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.78% | 94.97% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.33% | 91.19% |
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 bovei |
| PubChem | 14488205 |
| LOTUS | LTS0054502 |
| wikiData | Q104967642 |