5-[1-(2-Aminoimidazol-4-ylidene)-2-oxopropyl]-7-hydroxy-2-methylchromen-4-one
| Internal ID | e4a86e33-1921-48dd-9f60-bc4153899ea8 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 5-[1-(2-aminoimidazol-4-ylidene)-2-oxopropyl]-7-hydroxy-2-methylchromen-4-one |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=C3C=NC(=N3)N)C(=O)C |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C=C(C=C2O1)O)C(=C3C=NC(=N3)N)C(=O)C |
| InChI | InChI=1S/C16H13N3O4/c1-7-3-12(22)15-10(4-9(21)5-13(15)23-7)14(8(2)20)11-6-18-16(17)19-11/h3-6,21H,1-2H3,(H2,17,19) |
| InChI Key | ZHTDXRDZOPEPEC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H13N3O4 |
| Molecular Weight | 311.29 g/mol |
| Exact Mass | 311.09060590 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 5-[1-(2-Aminoimidazol-4-ylidene)-2-oxopropyl]-7-hydroxy-2-methylchromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-1-2-aminoimidazol-4-ylidene-2-oxopropyl-7-hydroxy-2-methylchromen-4-one.jpg "2D Structure of 5-[1-(2-Aminoimidazol-4-ylidene)-2-oxopropyl]-7-hydroxy-2-methylchromen-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.24% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 92.14% | 94.42% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.00% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.61% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.38% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.17% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.58% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.81% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 85.09% | 81.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.85% | 89.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.92% | 97.36% |
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.
| Senna siamea |
| PubChem | 163012976 |
| LOTUS | LTS0124904 |
| wikiData | Q105375992 |