4-[(13-oxospiro[9-oxa-1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,1'-cyclopropane]-8-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
| Internal ID | 721c9959-84ad-4bd9-b970-be5ecf085a54 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | 4-[(13-oxospiro[9-oxa-1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,1'-cyclopropane]-8-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione |
| SMILES (Canonical) | C1CC12C(=O)N3C4N2COC4(C5=CC=CC=C53)CC6C(=O)NCC7=NC8=CC=CC=C8C(=O)N67 |
| SMILES (Isomeric) | C1CC12C(=O)N3C4N2COC4(C5=CC=CC=C53)CC6C(=O)NCC7=NC8=CC=CC=C8C(=O)N67 |
| InChI | InChI=1S/C25H21N5O4/c31-20-18(29-19(12-26-20)27-16-7-3-1-5-14(16)21(29)32)11-25-15-6-2-4-8-17(15)30-22(25)28(13-34-25)24(9-10-24)23(30)33/h1-8,18,22H,9-13H2,(H,26,31) |
| InChI Key | PJFYDXKXWJTWNE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H21N5O4 |
| Molecular Weight | 455.50 g/mol |
| Exact Mass | 455.15935417 g/mol |
| Topological Polar Surface Area (TPSA) | 94.60 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-[(13-oxospiro[9-oxa-1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,1'-cyclopropane]-8-yl)methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione](https://plantaedb.com/storage/docs/compounds/2023/11/aff913a0-866a-11ee-bb0e-213b656bf156.jpg "2D Structure of 4-[(13-oxospiro[9-oxa-1,11-diazatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-triene-12,1'-cyclopropane]-8-yl)methyl]-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 | 95.84% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.01% | 99.23% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.18% | 96.39% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.34% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.13% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.50% | 93.99% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.30% | 94.75% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.19% | 89.44% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.48% | 95.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.57% | 98.59% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 85.40% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.29% | 86.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.89% | 95.83% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.55% | 93.40% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 82.18% | 87.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.11% | 100.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.45% | 92.67% |
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 | 162815990 |
| LOTUS | LTS0235144 |
| wikiData | Q104194906 |