[2-Oxo-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-yl] acetate
| Internal ID | 91a5db69-d636-447b-baad-e8927de55f5d |
| Taxonomy | Organoheterocyclic compounds > Piperidines > N-acylpiperidines |
| IUPAC Name | [2-oxo-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CN(C(=O)C2C1O2)C(=O)CCC3=CC=CC=C3 |
| SMILES (Isomeric) | CC(=O)OC1CN(C(=O)C2C1O2)C(=O)CCC3=CC=CC=C3 |
| InChI | InChI=1S/C16H17NO5/c1-10(18)21-12-9-17(16(20)15-14(12)22-15)13(19)8-7-11-5-3-2-4-6-11/h2-6,12,14-15H,7-9H2,1H3 |
| InChI Key | JPFGTGLKWYCHLM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H17NO5 |
| Molecular Weight | 303.31 g/mol |
| Exact Mass | 303.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 76.20 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [2-Oxo-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-oxo-3-3-phenylpropanoyl-7-oxa-3-azabicyclo410heptan-5-yl-acetate.jpg "2D Structure of [2-Oxo-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-5-yl] acetate")
| 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 | 98.72% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.59% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.69% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.70% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.58% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.67% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.99% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.40% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.96% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.99% | 90.17% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.53% | 100.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.77% | 94.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 80.01% | 97.50% |
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.
| Piper methysticum |
| PubChem | 22298209 |
| LOTUS | LTS0143133 |
| wikiData | Q105132690 |