N-[(1R,3S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide
| Internal ID | 8a202acf-34fd-43e1-a3d5-2444d0a3dd2a |
| Taxonomy | Alkaloids and derivatives > Loline alkaloids and derivatives |
| IUPAC Name | N-[(1R,3S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide |
| SMILES (Canonical) | CC(=O)NC1C2CN3C1C(O2)CC3 |
| SMILES (Isomeric) | CC(=O)N[C@H]1[C@H]2CN3C1[C@@H](O2)CC3 |
| InChI | InChI=1S/C9H14N2O2/c1-5(12)10-8-7-4-11-3-2-6(13-7)9(8)11/h6-9H,2-4H2,1H3,(H,10,12)/t6-,7+,8-,9?/m0/s1 |
| InChI Key | BWGXNGORZPWYGZ-KRBWIIOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.22 g/mol |
| Exact Mass | 182.105527694 g/mol |
| Topological Polar Surface Area (TPSA) | 41.60 Ų |
| XlogP | -0.60 |
| BWGXNGORZPWYGZ-KRBWIIOGSA-N |
![2D Structure of N-[(1R,3S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-1r3s8r-2-oxa-6-azatricyclo421037nonan-8-ylacetamide.jpg "2D Structure of N-[(1R,3S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.17% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.85% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.06% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.00% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.32% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.50% | 94.33% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 83.97% | 98.24% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.78% | 94.66% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.87% | 95.58% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.69% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.66% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.99% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.15% | 98.95% |
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.
| Smallanthus fruticosus |
| Smallanthus sonchifolius |
| Wedelia acapulcensis |
| PubChem | 6430306 |
| LOTUS | LTS0089681 |
| wikiData | Q105145918 |