(3aS,8bR)-3a-[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol
| Internal ID | 0bf816c3-f387-4ff7-9d17-03f8d6a44f41 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolines |
| IUPAC Name | (3aS,8bR)-3a-[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol |
| SMILES (Canonical) | C=CC1CN2CCC1CC2C34C(CCO3)(C5=CC=CC=C5N4)O |
| SMILES (Isomeric) | C=CC1CN2CC[C@@H]1CC2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O |
| InChI | InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13?,14-,17?,18-,19+/m1/s1 |
| InChI Key | ALNKTVLUDWIWIH-UQSZIHSVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24N2O2 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 44.70 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (3aS,8bR)-3a-[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3as8br-3a-4r-5-ethenyl-1-azabicyclo222octan-2-yl-24-dihydro-1h-furo23-bindol-8b-ol.jpg "2D Structure of (3aS,8bR)-3a-[(4R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.67% | 94.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.45% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.97% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.88% | 97.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 89.32% | 94.08% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.74% | 95.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.66% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.60% | 88.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.27% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.03% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.63% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.33% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.11% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 84.78% | 89.76% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.57% | 94.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.16% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 81.55% | 97.50% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.43% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.31% | 95.83% |
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.
| Ciliosemina pedunculata |
| Cinchona calisaya |
| Cinchona pubescens |
| PubChem | 137706191 |
| LOTUS | LTS0107692 |
| wikiData | Q104252724 |