2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]ethanol
| Internal ID | 19533dfd-e343-48d2-8d36-3420c4facf2f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]ethanol |
| SMILES (Canonical) | CC=C1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34 |
| SMILES (Isomeric) | C/C=C\1/CN2CCC3=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/h2-6,14,18,20,22H,7-12H2,1H3/b13-2-/t14-,18-/m0/s1 |
| InChI Key | LGJLRIJXTPDFNB-VILUJCMCSA-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 | 2.30 |
| There are no found synonyms. |
![2D Structure of 2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r3e12bs-3-ethylidene-24671212b-hexahydro-1h-indolo23-aquinolizin-2-ylethanol.jpg "2D Structure of 2-[(2R,3E,12bS)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.36% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.17% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 92.48% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.08% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.28% | 91.71% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.33% | 87.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.86% | 88.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.13% | 93.99% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.01% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.18% | 94.45% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.47% | 95.83% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.61% | 95.51% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 80.89% | 96.42% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.26% | 89.00% |
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.
| Hunteria zeylanica |
| Strychnos johnsonii |
| PubChem | 5324359 |
| LOTUS | LTS0066299 |
| wikiData | Q105151393 |