[(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
| Internal ID | 99a9bbcf-a667-4cf9-947b-9f475b4523d7 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate |
| SMILES (Canonical) | C1C(CC2C3C(C1N2)O3)OC(=O)C(CO)C4=CC=CC=C4 |
| SMILES (Isomeric) | C1C(CC2C3C(C1N2)O3)OC(=O)C(CO)C4=CC=CC=C4 |
| InChI | InChI=1S/C16H19NO4/c18-8-11(9-4-2-1-3-5-9)16(19)20-10-6-12-14-15(21-14)13(7-10)17-12/h1-5,10-15,17-18H,6-8H2 |
| InChI Key | MOYZEMOPQDTDHA-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.33 g/mol |
| Exact Mass | 289.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 0.90 |
| 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate |
| 4684-28-0 |
| 1alphaH,5alphaH-Nortropan-3alpha-ol, 6beta,7beta-epoxy-, (-)-tropate (ester) ; Norhyoscine |
| [(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate |
| FT-0673135 |
| Q15425308 |
![2D Structure of [(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s4r5r-3-oxa-9-azatricyclo331024nonan-7-yl-2s-3-hydroxy-2-phenylpropanoate.jpg "2D Structure of [(1S,2S,4R,5R)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 98.13% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 97.81% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 95.55% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.30% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.48% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.11% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.50% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.30% | 94.45% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 85.70% | 94.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.97% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.96% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.07% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.85% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.22% | 86.33% |
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 innoxia |
| PubChem | 10424253 |
| LOTUS | LTS0159946 |
| wikiData | Q15425308 |