2-methoxy-1-(9H-pyrido(3,4-b)indol-1-yl)ethanone
| Internal ID | b24e7a32-022f-4376-b50e-1c4c403d3555 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H12N2O2/c1-18-8-12(17)14-13-10(6-7-15-14)9-4-2-3-5-11(9)16-13/h2-7,16H,8H2,1H3 |
| InChI Key | KGXNMZDNPKYEHN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H12N2O2 |
| Molecular Weight | 240.26 g/mol |
| Exact Mass | 240.089877630 g/mol |
| Topological Polar Surface Area (TPSA) | 55.00 Ų |
| XlogP | 2.20 |
| 123520-94-5 |
| 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanone |
| DTXSID00154032 |
| 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 | 98.02% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.09% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.39% | 98.95% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 89.50% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.46% | 83.82% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.18% | 92.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.74% | 94.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.99% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.83% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.26% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.14% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.74% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.34% | 94.62% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.26% | 93.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.86% | 90.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.61% | 87.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.26% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 96.00% |
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.
| Arenaria kansuensis |
| PubChem | 183645 |
| LOTUS | LTS0075935 |
| wikiData | Q83021136 |