1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
| Internal ID | 71adae6e-5742-4f3d-8de6-732d6469bf08 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone |
| SMILES (Canonical) | CC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
| SMILES (Isomeric) | CC(=O)C1=NC=CC2=C1NC3=CC=CC=C23 |
| InChI | InChI=1S/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3 |
| InChI Key | NXZSUJKPVSDFNF-UHFFFAOYSA-N |
| Popularity | 52 references in papers |
| Molecular Formula | C13H10N2O |
| Molecular Weight | 210.23 g/mol |
| Exact Mass | 210.079312947 g/mol |
| Topological Polar Surface Area (TPSA) | 45.80 Ų |
| XlogP | 2.30 |
| 50892-83-6 |
| 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone |
| 1-Acetyl-|A-carboline |
| CHEBI:69598 |
| 1-(9H-Pyrido[3,4-b]indol-1-yl)ethan-1-one |
| ethanone, 1-(9H-pyrido[3,4-b]indol-1-yl)- |
| 1-acetyl beta carboline |
| 1-acetyl beta-carboline |
| SCHEMBL4069498 |
| CHEMBL1682931 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone](https://plantaedb.com/storage/docs/compounds/2023/07/1-9h-pyrido34-bindol-1-ylethanone.jpg "2D Structure of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone")
| 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 | 94.89% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.65% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.62% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.30% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.81% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.84% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.08% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.02% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.63% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.42% | 95.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.53% | 97.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 83.69% | 96.47% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.09% | 93.65% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.74% | 92.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.35% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.74% | 88.56% |
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 |
| Arenaria kansuensis |
| Conioselinum anthriscoides |
| Picrasma quassioides |
| Rauvolfia serpentina |
| Sedum sarmentosum |
| PubChem | 638667 |
| NPASS | NPC191415 |
| ChEMBL | CHEMBL1682931 |
| LOTUS | LTS0104209 |
| wikiData | Q27137940 |