2-[(2R,3R,12bR)-3-ethyl-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol
| Internal ID | db11261a-8505-46d2-abde-94e318422334 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-[(2R,3R,12bR)-3-ethyl-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H29N2O/c1-3-14-13-22(2)10-8-17-16-6-4-5-7-18(16)21-20(17)19(22)12-15(14)9-11-23/h4-7,14-15,19,21,23H,3,8-13H2,1-2H3/q+1/t14-,15-,19+,22?/m0/s1 |
| InChI Key | GQHMLAHWHZYXRK-FGEHUHIKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H29N2O+ |
| Molecular Weight | 313.50 g/mol |
| Exact Mass | 313.227988553 g/mol |
| Topological Polar Surface Area (TPSA) | 36.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2-[(2R,3R,12bR)-3-ethyl-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-2-yl]ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/17c79e60-8591-11ee-ac86-d9b694313fad.jpg "2D Structure of 2-[(2R,3R,12bR)-3-ethyl-5-methyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-5-ium-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.83% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.36% | 95.56% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.93% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.36% | 94.62% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.78% | 94.08% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 87.37% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.28% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.36% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.13% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.03% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.01% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.34% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.22% | 87.45% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.12% | 88.56% |
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.
| Lerchea bracteata |
| PubChem | 10405498 |
| LOTUS | LTS0223853 |
| wikiData | Q105015386 |