(9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylpropanoate
| Internal ID | ebbf46cc-16d8-48f2-b655-d551b338fde1 |
| Taxonomy | Organoheterocyclic compounds > Oxazinanes > Morpholines |
| IUPAC Name | (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylpropanoate |
| SMILES (Canonical) | CC(C1=CC=CC=C1)C(=O)OC2CC3C4C(O4)C(C2)N3C |
| SMILES (Isomeric) | CC(C1=CC=CC=C1)C(=O)OC2CC3C4C(O4)C(C2)N3C |
| InChI | InChI=1S/C17H21NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,10,12-16H,8-9H2,1-2H3 |
| InChI Key | SQZSJGGSKOCLQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9-methyl-3-oxa-9-azatricyclo331024nonan-7-yl-2-phenylpropanoate.jpg "2D Structure of (9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylpropanoate")
| 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 | 98.13% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 94.85% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.49% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.64% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.16% | 83.82% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 88.65% | 94.23% |
| CHEMBL5028 | O14672 | ADAM10 | 87.44% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.22% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.11% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.22% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.49% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.81% | 90.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.72% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.53% | 99.23% |
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.
| Datura stramonium |
| PubChem | 162997355 |
| LOTUS | LTS0225115 |
| wikiData | Q105258814 |