2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
| Internal ID | f0720404-d734-4aa1-abba-88980570fe92 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol |
| SMILES (Canonical) | C=CC1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34 |
| SMILES (Isomeric) | C=C[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1CCO)NC4=CC=CC=C34 |
| InChI | InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14-,18-/m0/s1 |
| InChI Key | IILQILGCNGUUHT-DEYYWGMASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H24N2O |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.188863393 g/mol |
| Topological Polar Surface Area (TPSA) | 39.30 Ų |
| XlogP | 2.90 |
| 2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol |
![2D Structure of 2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r3r12bs-3-ethenyl-1234671212b-octahydroindolo23-aquinolizin-2-ylethanol.jpg "2D Structure of 2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.47% | 89.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.09% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.59% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.75% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.55% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.46% | 91.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.01% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.50% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.76% | 87.45% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 81.61% | 93.81% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.04% | 92.98% |
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.
| Strychnos johnsonii |
| PubChem | 22217443 |
| LOTUS | LTS0166238 |
| wikiData | Q105113603 |