Deoxytopsentin
| Internal ID | ba173e23-7cec-479a-8c9e-233e805611ed |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | 1H-indol-3-yl-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=CC=CC=C54 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=CC=CC=C54 |
| InChI | InChI=1S/C20H14N4O/c25-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(24-20)14-9-21-16-7-3-1-5-12(14)16/h1-11,21-22H,(H,23,24) |
| InChI Key | OBDUUEITYHUFCW-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C20H14N4O |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.11676108 g/mol |
| Topological Polar Surface Area (TPSA) | 77.30 Ų |
| XlogP | 3.70 |
| Topsentin A |
| Deoxytopsentine |
| 112515-42-1 |
| NSC-623150 |
| Methanone, 1H-indol-3-yl(5-(1H-indol-3-yl)-1H-imidazol-2-yl)- |
| Methanone, 1H-indol-3-yl[5-(1H-indol-3-yl)-1H-imidazol-2-yl]- |
| Topsentine A |
| NSC 623150 |
| 1H-indol-3-yl-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone |
| V3E7XP2A9Q |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2535 | P11166 | Glucose transporter | 94.88% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 91.89% | 94.62% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 91.14% | 88.56% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 89.47% | 96.47% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.94% | 92.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.90% | 95.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.72% | 89.44% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.00% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.84% | 91.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.69% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.96% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.65% | 96.09% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 86.37% | 81.14% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.61% | 85.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.92% | 96.67% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.38% | 97.00% |
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.
| There are no matching plants. |
| PubChem | 183527 |
| LOTUS | LTS0065347 |
| wikiData | Q83016021 |