1-ethyl-9H-pyrido[3,4-b]indole
| Internal ID | 0de9cd19-19df-43c2-b019-1c5d88efd2db |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-ethyl-9H-pyrido[3,4-b]indole |
| SMILES (Canonical) | CCC1=NC=CC2=C1NC3=CC=CC=C23 |
| SMILES (Isomeric) | CCC1=NC=CC2=C1NC3=CC=CC=C23 |
| InChI | InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3 |
| InChI Key | YTQRHYCHEIXUIU-UHFFFAOYSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C13H12N2 |
| Molecular Weight | 196.25 g/mol |
| Exact Mass | 196.100048391 g/mol |
| Topological Polar Surface Area (TPSA) | 28.70 Ų |
| XlogP | 4.00 |
| 20127-61-1 |
| 9H-Pyrido(3,4-b)indole, 1-ethyl- |
| 1-Ethyl-9H-pyrido(3,4-b)indole |
| K98LP3Z6TC |
| 1-Ethylpyrido(3,4-b)indole |
| 9H-pyrido[3,4-b]indole, 1-ethyl- |
| SMR000386891 |
| ethyl-b-carboline |
| Ethylbeta-carboline |
| UNII-K98LP3Z6TC |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1-ethyl-9H-pyrido[3,4-b]indole](https://plantaedb.com/storage/docs/compounds/2023/11/1-ethyl-9h-pyrido34-bindole.jpg "2D Structure of 1-ethyl-9H-pyrido[3,4-b]indole")
| 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 | 94.05% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.56% | 98.59% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.43% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 88.57% | 97.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 87.78% | 89.92% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.59% | 93.65% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 84.27% | 85.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.82% | 91.11% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.81% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.11% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.15% | 94.73% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.52% | 88.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.46% | 93.31% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.03% | 90.71% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.60% | 87.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.29% | 94.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.26% | 94.62% |
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.
| Ailanthus triphysa |
| Brucea mollis |
| Quassia undulata |
| PubChem | 5324325 |
| LOTUS | LTS0216772 |
| wikiData | Q83043994 |