2-(3-Ethenyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol
| Internal ID | 3252c702-8fb8-472d-99fc-ff0e620f6340 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-(3-ethenyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3=C(N2)C4CC(C(CN4CC3)C=C)CCO |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3=C(N2)C4CC(C(CN4CC3)C=C)CCO |
| InChI | InChI=1S/C20H26N2O2/c1-3-13-12-22-8-6-17-16-5-4-15(24-2)11-18(16)21-20(17)19(22)10-14(13)7-9-23/h3-5,11,13-14,19,21,23H,1,6-10,12H2,2H3 |
| InChI Key | BEVQVISXDWONSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N2O2 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 48.50 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 2-(3-Ethenyl-10-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)ethanol](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-ethenyl-10-methoxy-1234671212b-octahydroindolo23-aquinolizin-2-ylethanol.jpg "2D Structure of 2-(3-Ethenyl-10-methoxy-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.10% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.92% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 93.74% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.70% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.63% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.35% | 91.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.87% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.85% | 93.40% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.35% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.45% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.94% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.72% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.54% | 86.92% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.95% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.81% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.48% | 88.48% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.39% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.88% | 90.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.64% | 91.79% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.57% | 91.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.45% | 86.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.89% | 96.25% |
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.
| Aspidosperma discolor |
| PubChem | 162911840 |
| LOTUS | LTS0136926 |
| wikiData | Q104933631 |