1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
| Internal ID | 7a084209-e364-4ee5-94ec-71e601586811 |
| Taxonomy | Alkaloids and derivatives > Emetine alkaloids |
| IUPAC Name | 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| SMILES (Canonical) | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)O)OC)OC |
| SMILES (Isomeric) | CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)O)OC)OC |
| InChI | InChI=1S/C27H36N2O4/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/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3 |
| InChI Key | HGQNZTBYUKKJLH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36N2O4 |
| Molecular Weight | 452.60 g/mol |
| Exact Mass | 452.26750763 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/da560510-8683-11ee-907b-e7942f45a27d.jpg "2D Structure of 1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-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 | 99.24% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 97.66% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.50% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.27% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.56% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.38% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.51% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.89% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.81% | 97.21% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.78% | 91.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.87% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.85% | 89.62% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.44% | 82.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.03% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.86% | 91.79% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.42% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.05% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.13% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.76% | 96.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.67% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.63% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.44% | 88.48% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.33% | 96.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.06% | 92.62% |
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 | 85301966 |
| LOTUS | LTS0054490 |
| wikiData | Q105027925 |