8-[(dimethylammonio)methyl]-2-methyl-4-oxo-3-phenyl-4H-chromen-7-olate
| Internal ID | 27a6acdd-c231-4358-b350-57176eb74936 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 8-[(dimethylazaniumyl)methyl]-2-methyl-4-oxo-3-phenylchromen-7-olate |
| SMILES (Canonical) | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=CC=CC=C3 |
| SMILES (Isomeric) | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+](C)C)C3=CC=CC=C3 |
| InChI | InChI=1S/C19H19NO3/c1-12-17(13-7-5-4-6-8-13)18(22)14-9-10-16(21)15(11-20(2)3)19(14)23-12/h4-10,21H,11H2,1-3H3 |
| InChI Key | IVBPMCTZBKREST-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO3 |
| Molecular Weight | 309.40 g/mol |
| Exact Mass | 309.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 53.80 Ų |
| XlogP | 4.50 |
| AKOS037492146 |
![2D Structure of 8-[(dimethylammonio)methyl]-2-methyl-4-oxo-3-phenyl-4H-chromen-7-olate](https://plantaedb.com/storage/docs/compounds/2023/11/8-dimethylammoniomethyl-2-methyl-4-oxo-3-phenyl-4h-chromen-7-olate.jpg "2D Structure of 8-[(dimethylammonio)methyl]-2-methyl-4-oxo-3-phenyl-4H-chromen-7-olate")
| 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 | 96.55% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.54% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 94.26% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.51% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.27% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.72% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.96% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.06% | 96.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.94% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.33% | 96.00% |
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.
| Astragalus mongholicus |
| PubChem | 44666377 |
| LOTUS | LTS0253472 |
| wikiData | Q105120967 |