2-(3-ethyl-10-hydroxy-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetaldehyde
| Internal ID | 639b8fdb-fda7-44cc-b28d-91d3a7d92f88 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 2-(3-ethyl-10-hydroxy-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetaldehyde |
| SMILES (Canonical) | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC=O)O)OC |
| SMILES (Isomeric) | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC=O)O)OC |
| InChI | InChI=1S/C18H25NO3/c1-3-12-11-19-6-4-14-9-18(22-2)17(21)10-15(14)16(19)8-13(12)5-7-20/h7,9-10,12-13,16,21H,3-6,8,11H2,1-2H3 |
| InChI Key | ZMIUDPUOTLDSHP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.40 g/mol |
| Exact Mass | 303.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 2-(3-ethyl-10-hydroxy-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/2-3-ethyl-10-hydroxy-9-methoxy-2346711b-hexahydro-1h-benzoaquinolizin-2-ylacetaldehyde.jpg "2D Structure of 2-(3-ethyl-10-hydroxy-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)acetaldehyde")
| 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 | 99.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.34% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.00% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.94% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.07% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.51% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.41% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.71% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.68% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.48% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.79% | 82.38% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.55% | 89.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.62% | 95.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.02% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.93% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.59% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.73% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.52% | 93.99% |
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.
| Alangium longiflorum |
| PubChem | 162854155 |
| LOTUS | LTS0069258 |
| wikiData | Q105379472 |