Neofiscalin A
| Internal ID | 0f8aceb7-1f81-451e-b92b-a470706c88c4 |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines |
| IUPAC Name | (1S,4R)-4-[[(2R,3aR,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H27N5O4/c1-13(2)20-21-28-17-10-6-4-8-15(17)24(34)30(21)19(22(32)29-20)12-26(35)16-9-5-7-11-18(16)31-23(33)14(3)27-25(26)31/h4-11,13-14,19-20,25,27,35H,12H2,1-3H3,(H,29,32)/t14-,19-,20+,25-,26+/m1/s1 |
| InChI Key | KGYYECCJAXZXMH-YUPJTPIFSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H27N5O4 |
| Molecular Weight | 473.50 g/mol |
| Exact Mass | 473.20630436 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 1.50 |
| CHEMBL5171316 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.32% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.65% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.73% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.17% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.03% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.60% | 98.59% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 84.31% | 95.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.87% | 90.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.84% | 94.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.17% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.15% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.90% | 97.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.80% | 89.00% |
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 | 101575716 |
| LOTUS | LTS0063629 |
| wikiData | Q105141040 |