8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
| Internal ID | 12d2065a-d89d-4207-8abd-1f00167f0776 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | 8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate |
| SMILES (Canonical) | C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3 |
| SMILES (Isomeric) | C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=CC=C3 |
| InChI | InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2 |
| InChI Key | ATKYNAZQGVYHIB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.34 g/mol |
| Exact Mass | 275.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 1.40 |
| N-Demethylatropine |
| Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-azabicyclo[3.2.1]oct-3-yl ester |
| Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-azabicyclo(3.2.1)oct-3-yl ester |
| NoName_3947 |
| CHEMBL66410 |
| SCHEMBL4524269 |
| DTXSID20903302 |
| ATKYNAZQGVYHIB-UHFFFAOYSA-N |
| Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-azabicyclo[3.2.1]oct-3-yl ester |
| Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-azabicyclo[3.2.1]oct-3-yl ester, endo- |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 8-Azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8-azabicyclo321octan-3-yl-3-hydroxy-2-phenylpropanoate.jpg "2D Structure of 8-Azabicyclo[3.2.1]octan-3-yl 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 | 99.40% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 98.82% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 98.80% | 94.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.91% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.09% | 97.09% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 92.89% | 94.97% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.10% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.62% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.57% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.21% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.20% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 83.00% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.73% | 99.17% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.78% | 97.53% |
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.
| Brugmansia arborea |
| Brugmansia suaveolens |
| Duboisia leichhardtii |
| Solandra grandiflora |
| Solandra guttata |
| PubChem | 64701 |
| LOTUS | LTS0057186 |
| wikiData | Q104918494 |