[(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
| Internal ID | 3ce97bcd-aa0c-4b26-a57d-9dd6d8aa1863 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate |
| SMILES (Canonical) | CN1C2CC(CC1C(C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| SMILES (Isomeric) | CN1[C@@H]2C[C@H](C[C@H]1[C@@H](C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChI | InChI=1S/C22H23NO4/c1-23-17-12-18(26-21(24)15-8-4-2-5-9-15)14-19(23)20(13-17)27-22(25)16-10-6-3-7-11-16/h2-11,17-20H,12-14H2,1H3/t17-,18-,19+,20-/m1/s1 |
| InChI Key | JRPXXGFURWDPJS-YSTOQKLRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H23NO4 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/1r3r5s6r-6-benzoyloxy-8-methyl-8-azabicyclo321octan-3-yl-benzoate.jpg "2D Structure of [(1R,3R,5S,6R)-6-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate")
| 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 | 96.28% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 91.47% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 90.24% | 94.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.85% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.80% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.67% | 94.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.40% | 91.49% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 88.68% | 97.53% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.77% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.60% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.24% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.14% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.74% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.86% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.60% | 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.
| Erythroxylum cuneatum |
| PubChem | 162912053 |
| LOTUS | LTS0074520 |
| wikiData | Q105134038 |