4-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-1,3-diazepan-2-one
| Internal ID | 451d3675-9926-40fd-b50b-76d6488424a7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 4-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-1,3-diazepan-2-one |
| SMILES (Canonical) | C1CC(NC(=O)NC1)C2=C3C(=C(C=C2O)O)C(=O)CC(O3)C4=CC=CC=C4 |
| SMILES (Isomeric) | C1CC(NC(=O)NC1)C2=C3C(=C(C=C2O)O)C(=O)CC(O3)C4=CC=CC=C4 |
| InChI | InChI=1S/C20H20N2O5/c23-13-9-14(24)18-15(25)10-16(11-5-2-1-3-6-11)27-19(18)17(13)12-7-4-8-21-20(26)22-12/h1-3,5-6,9,12,16,23-24H,4,7-8,10H2,(H2,21,22,26) |
| InChI Key | OPODLFBNKXTLEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O5 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.13722174 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.08% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.65% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.58% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.49% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.39% | 93.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.41% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.53% | 93.99% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.96% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.94% | 86.33% |
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.
| Aquilegia ecalcarata |
| PubChem | 21592392 |
| LOTUS | LTS0041460 |
| wikiData | Q105196467 |