(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
| Internal ID | f1b0d15c-9063-4f0e-a25c-d149559aa70a |
| Taxonomy | Alkaloids and derivatives > Emetine alkaloids |
| IUPAC Name | (2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H34N2O4/c1-4-16-15-29-8-6-18-12-25(31)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-26(32-2)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 | XRAOZUADTKLWOA-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 (2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/fee0b3d0-860f-11ee-9997-61feb907a584.jpg "2D Structure of (2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol")
| 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 | 99.49% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.50% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.55% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.38% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.98% | 85.14% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.78% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.26% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.93% | 91.11% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.41% | 95.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.96% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.49% | 91.79% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 88.07% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.77% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.56% | 93.40% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.26% | 82.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.51% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.56% | 91.03% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.97% | 88.48% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.95% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.55% | 97.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 82.34% | 95.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.64% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.19% | 93.99% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.15% | 95.69% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.51% | 95.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.42% | 90.24% |
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 | 135798377 |
| LOTUS | LTS0190851 |
| wikiData | Q105340271 |