Topsentin
| Internal ID | 7b38a97b-eff2-4ac9-b778-303b379847f6 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives |
| IUPAC Name | (6-hydroxy-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=C4C=CC(=C5)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O |
| InChI | InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24) |
| InChI Key | TVPNFKRGOFJQOO-UHFFFAOYSA-N |
| Popularity | 21 references in papers |
| Molecular Formula | C20H14N4O2 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11167570 g/mol |
| Topological Polar Surface Area (TPSA) | 97.60 Ų |
| XlogP | 3.30 |
| 112515-43-2 |
| Topsentin B1 |
| CHEMBL303282 |
| Methanone,(6-hydroxy-1H-indol-3-yl)[5-(1H-indol-3-yl)-1H-imidazol-2-yl]- |
| Topsentine B 1 |
| SCHEMBL19235593 |
| DTXSID30150087 |
| TVPNFKRGOFJQOO-UHFFFAOYSA-N |
| BDBM50287721 |
| (6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone |
| 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 | 97.42% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.13% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.01% | 94.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 94.17% | 92.67% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.61% | 95.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.55% | 95.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 90.32% | 89.44% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.30% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.79% | 94.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.17% | 85.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.77% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.71% | 88.56% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 87.66% | 81.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.27% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.21% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.52% | 93.10% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 84.36% | 93.24% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.15% | 97.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.46% | 89.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.16% | 99.17% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.44% | 96.47% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.29% | 99.15% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 80.49% | 82.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.09% | 90.00% |
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 | 72457 |
| LOTUS | LTS0084541 |
| wikiData | Q83016025 |