2H-Benzo(a)quinolizine-2-ethanol, 3-ethyl-1,3,4,6,7,11b-hexahydro-9-hydroxy-10-methoxy-, (2R,3R,11bS)-
| Internal ID | 211a1a5c-efed-4765-bcd7-1b7c65da40e6 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol |
| SMILES (Canonical) | CCC1CN2CCC3=CC(=C(C=C3C2CC1CCO)OC)O |
| SMILES (Isomeric) | CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1CCO)OC)O |
| InChI | InChI=1S/C18H27NO3/c1-3-12-11-19-6-4-14-9-17(21)18(22-2)10-15(14)16(19)8-13(12)5-7-20/h9-10,12-13,16,20-21H,3-8,11H2,1-2H3/t12-,13-,16-/m0/s1 |
| InChI Key | BQKULDKJGYXIKE-XEZPLFJOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H27NO3 |
| Molecular Weight | 305.40 g/mol |
| Exact Mass | 305.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 2.70 |
| 84590-09-0 |
| 9-Demethylprotoemetinol |
| (-)-9-Demethylprotoemetinol |
| DTXSID80233571 |
| 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 | 99.08% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.14% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.82% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.76% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.46% | 89.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.21% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.81% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.70% | 99.17% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.84% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.36% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.68% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.32% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.25% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.87% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.15% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.46% | 90.24% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.88% | 82.38% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.73% | 91.03% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.36% | 91.79% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 81.95% | 96.25% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.51% | 91.96% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.19% | 97.21% |
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.
| Carapichea ipecacuanha |
| PubChem | 158671 |
| LOTUS | LTS0203556 |
| wikiData | Q83115146 |