(2E)-2-[(4R)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol
| Internal ID | fc2621f3-0267-4f89-b013-0329a9882f60 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles |
| IUPAC Name | (2E)-2-[(4R)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol |
| SMILES (Canonical) | CN1CCC(C(=CCO)C1)C(=C)C2=CC3=CC=CC=C3N2 |
| SMILES (Isomeric) | CN1CC[C@H](/C(=C\CO)/C1)C(=C)C2=CC3=CC=CC=C3N2 |
| InChI | InChI=1S/C18H22N2O/c1-13(16-7-9-20(2)12-15(16)8-10-21)18-11-14-5-3-4-6-17(14)19-18/h3-6,8,11,16,19,21H,1,7,9-10,12H2,2H3/b15-8-/t16-/m0/s1 |
| InChI Key | NBQBLPKOVYSSJR-YMDFIQGPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22N2O |
| Molecular Weight | 282.40 g/mol |
| Exact Mass | 282.173213330 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (2E)-2-[(4R)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/2e-2-4r-4-1-1h-indol-2-ylethenyl-1-methylpiperidin-3-ylideneethanol.jpg "2D Structure of (2E)-2-[(4R)-4-[1-(1H-indol-2-yl)ethenyl]-1-methylpiperidin-3-ylidene]ethanol")
| 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 | 96.97% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.33% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.65% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.65% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.31% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.98% | 91.49% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 86.63% | 87.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.38% | 97.25% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.45% | 91.71% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 84.43% | 96.42% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.20% | 95.83% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.13% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.54% | 90.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.21% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.95% | 94.75% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 81.45% | 98.33% |
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.
| Alstonia scholaris |
| PubChem | 163185509 |
| LOTUS | LTS0075641 |
| wikiData | Q105176914 |