1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
| Internal ID | 4966f7cb-b39b-4e17-a154-2687fe6ab99c |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C4=NC5=CC=CC=C5C(=O)N34)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C4=NC5=CC=CC=C5C(=O)N34)O |
| InChI | InChI=1S/C20H16N4O3/c25-18-16(9-11-10-21-14-7-3-1-5-12(11)14)24-17(19(26)23-18)22-15-8-4-2-6-13(15)20(24)27/h1-8,10,16,19,21,26H,9H2,(H,23,25) |
| InChI Key | YMSZGOBWCXGQOE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16N4O3 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12224039 g/mol |
| Topological Polar Surface Area (TPSA) | 97.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1-hydroxy-4-1h-indol-3-ylmethyl-24-dihydro-1h-pyrazino21-bquinazoline-36-dione.jpg "2D Structure of 1-hydroxy-4-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.60% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.06% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.30% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.91% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.39% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.21% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 90.54% | 97.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.73% | 94.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.72% | 88.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.13% | 92.62% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.00% | 97.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.47% | 94.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.15% | 95.56% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.98% | 96.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.59% | 90.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.20% | 94.23% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 83.17% | 95.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.01% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.34% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.28% | 86.33% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 81.03% | 90.71% |
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.
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| There are no matching plants. |
| PubChem | 78159657 |
| LOTUS | LTS0223956 |
| wikiData | Q104201854 |