(2R)-2-[(2R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
| Internal ID | f5e05d4b-5449-4ebd-b264-1fe40efed40d |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (2R)-2-[(2R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol |
| SMILES (Canonical) | C=CC(CO)C1CCN2CCC3=C(C2C1)NC4=CC=CC=C34 |
| SMILES (Isomeric) | C=C[C@@H](CO)[C@@H]1CCN2CCC3=C([C@@H]2C1)NC4=CC=CC=C34 |
| InChI | InChI=1S/C19H24N2O/c1-2-13(12-22)14-7-9-21-10-8-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14/h2-6,13-14,18,20,22H,1,7-12H2/t13-,14+,18-/m0/s1 |
| InChI Key | RYMNVEAAYOFGCI-IYOUNJFTSA-N |
| Popularity | 0 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 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(2R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2r12bs-1234671212b-octahydroindolo23-aquinolizin-2-ylbut-3-en-1-ol.jpg "2D Structure of (2R)-2-[(2R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.34% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.97% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.40% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.96% | 98.95% |
| CHEMBL228 | P31645 | Serotonin transporter | 87.13% | 95.51% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 85.59% | 97.50% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.53% | 95.83% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.63% | 91.71% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.51% | 88.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.37% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.11% | 89.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.01% | 97.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.00% | 87.45% |
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 | 163195367 |
| LOTUS | LTS0116919 |
| wikiData | Q105247695 |