Ralfuranone I
| Internal ID | 5e370729-3c63-4905-ab47-19575a0ab9d8 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acids |
| IUPAC Name | 4-benzylidene-5-oxo-3-phenylfuran-2-carboxylic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C=C2C(=C(OC2=O)C(=O)O)C3=CC=CC=C3 |
| SMILES (Isomeric) | C1=CC=C(C=C1)C=C2C(=C(OC2=O)C(=O)O)C3=CC=CC=C3 |
| InChI | InChI=1S/C18H12O4/c19-17(20)16-15(13-9-5-2-6-10-13)14(18(21)22-16)11-12-7-3-1-4-8-12/h1-11H,(H,19,20) |
| InChI Key | HXJRAGITJNXHBB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H12O4 |
| Molecular Weight | 292.30 g/mol |
| Exact Mass | 292.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 3.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.66% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.44% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.14% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.74% | 95.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.98% | 87.67% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.40% | 83.57% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.31% | 94.62% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.26% | 81.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.80% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.03% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.39% | 93.00% |
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 | 139586204 |
| LOTUS | LTS0083012 |
| wikiData | Q77501203 |