Trigonostemonine E
| Internal ID | 873b0f9e-e024-4437-817e-cc1c7e9e4770 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | 1-(7-methoxyquinolin-4-yl)-4,9-dihydro-3H-pyrido[3,4-b]indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H17N3O/c1-25-13-6-7-15-16(8-10-22-19(15)12-13)20-21-17(9-11-23-20)14-4-2-3-5-18(14)24-21/h2-8,10,12,24H,9,11H2,1H3 |
| InChI Key | NLVZCPMCDXOEPT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H17N3O |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.137162174 g/mol |
| Topological Polar Surface Area (TPSA) | 50.30 Ų |
| XlogP | 4.00 |
| CHEMBL1957114 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.12% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.10% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.06% | 98.75% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 95.71% | 92.67% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 95.51% | 85.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.39% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 93.39% | 96.47% |
| CHEMBL240 | Q12809 | HERG | 92.64% | 89.76% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 92.16% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.91% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.88% | 93.31% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.34% | 92.98% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.10% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.03% | 96.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.63% | 89.44% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.62% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.40% | 90.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.37% | 93.81% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 86.14% | 93.92% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.67% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.48% | 91.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.49% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.66% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.86% | 91.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.35% | 95.83% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.16% | 96.39% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 81.92% | 89.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.54% | 97.09% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.29% | 88.00% |
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.
| Trigonostemon bonianus |
| PubChem | 57401814 |
| LOTUS | LTS0175368 |
| wikiData | Q105181607 |