1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydroisoquinoline-6,7-diol
| Internal ID | a4355b93-2020-4da0-a1aa-51843107aaf9 |
| Taxonomy | Alkaloids and derivatives > Emetine alkaloids |
| IUPAC Name | 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydroisoquinoline-6,7-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,23,30-31H,4-10,15H2,1-3H3/t16-,19-,23-/m0/s1 |
| InChI Key | OAIJXTDQJIUEGV-NVVBAYIOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H34N2O4 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.25185757 g/mol |
| Topological Polar Surface Area (TPSA) | 74.50 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydroisoquinoline-6,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5833a500-8536-11ee-a38f-79ec0f583c71.jpg "2D Structure of 1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-3,4-dihydroisoquinoline-6,7-diol")
| 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 | 99.36% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.80% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 94.33% | 96.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.34% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.78% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.42% | 85.14% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.75% | 95.12% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.98% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.59% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.68% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.16% | 91.11% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 88.07% | 96.25% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.02% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.18% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.79% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.69% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.34% | 82.38% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.24% | 95.69% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.40% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.87% | 89.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.84% | 88.48% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.48% | 94.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.42% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.22% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 162943115 |
| LOTUS | LTS0238380 |
| wikiData | Q105188703 |