9-Ethoxychelerythrine
| Internal ID | 1ad34fa6-acad-47d6-a147-e7e1eaff5619 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 3-ethoxy-1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
| SMILES (Canonical) | CCOC1=C(C(=C2C=[N+](C3=C(C2=C1)C=CC4=CC5=C(C=C43)OCO5)C)OC)OC |
| SMILES (Isomeric) | CCOC1=C(C(=C2C=[N+](C3=C(C2=C1)C=CC4=CC5=C(C=C43)OCO5)C)OC)OC |
| InChI | InChI=1S/C23H22NO5/c1-5-27-20-10-16-14-7-6-13-8-18-19(29-12-28-18)9-15(13)21(14)24(2)11-17(16)22(25-3)23(20)26-4/h6-11H,5,12H2,1-4H3/q+1 |
| InChI Key | OCHVEIWLDXUQEC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22NO5+ |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14979780 g/mol |
| Topological Polar Surface Area (TPSA) | 50.00 Ų |
| XlogP | 4.90 |
| 9-Ethoxychelerythrine |
| [1,3]Dioxolo[4,5]benzo[1,2-c]phenanthridine,13-ethoxy-12,13-dihydro-1,2-dimethoxy-12-methyl- |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.42% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.14% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.71% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.60% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 92.53% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.31% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.86% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.50% | 89.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.04% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 86.97% | 89.76% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.50% | 92.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.06% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.92% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 84.87% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.42% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.86% | 92.68% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.84% | 95.56% |
| CHEMBL2319 | P06870 | Kallikrein 1 | 83.36% | 90.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.84% | 82.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.32% | 94.75% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.45% | 85.00% |
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.
| Zanthoxylum zanthoxyloides |
| PubChem | 102594482 |
| LOTUS | LTS0057359 |
| wikiData | Q104250108 |