Dehydrohyoscinamine
| Internal ID | bb19ce04-f81e-47a8-bfd1-0a46e79917c4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | (8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) 2-phenylpropanoate |
| SMILES (Canonical) | CC(C1=CC=CC=C1)C(=O)OC2=CC3CCC(C2)N3C |
| SMILES (Isomeric) | CC(C1=CC=CC=C1)C(=O)OC2=CC3CCC(C2)N3C |
| InChI | InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,10,12,14-15H,8-9,11H2,1-2H3 |
| InChI Key | LNFOOMVUSZBFCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO2 |
| Molecular Weight | 271.35 g/mol |
| Exact Mass | 271.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 3.20 |
| LNFOOMVUSZBFCN-UHFFFAOYSA-N |
| 8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl hydratropate # |
| 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 | 97.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.81% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.06% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.17% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.96% | 93.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.92% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 84.35% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.99% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.41% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.20% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.92% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.74% | 97.25% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.12% | 94.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.02% | 90.00% |
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 | 580032 |
| LOTUS | LTS0168516 |
| wikiData | Q105154313 |