6,7-Dihydroxy-3-(1-hydroxy-3-oxobut-1-enyl)-4-oxo-2,3-dihydrochromene-5-carboxylic acid
| Internal ID | 75b6fea4-d2c1-4b2a-a163-7bff176f04b9 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 6,7-dihydroxy-3-(1-hydroxy-3-oxobut-1-enyl)-4-oxo-2,3-dihydrochromene-5-carboxylic acid |
| SMILES (Canonical) | CC(=O)C=C(C1COC2=C(C1=O)C(=C(C(=C2)O)O)C(=O)O)O |
| SMILES (Isomeric) | CC(=O)C=C(C1COC2=C(C1=O)C(=C(C(=C2)O)O)C(=O)O)O |
| InChI | InChI=1S/C14H12O8/c1-5(15)2-7(16)6-4-22-9-3-8(17)13(19)11(14(20)21)10(9)12(6)18/h2-3,6,16-17,19H,4H2,1H3,(H,20,21) |
| InChI Key | KHUIDQVNEUBAJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H12O8 |
| Molecular Weight | 308.24 g/mol |
| Exact Mass | 308.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 0.90 |
| 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 | 99.21% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.50% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.40% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.32% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.17% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.93% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.60% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.33% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.05% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.92% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.64% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.66% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.18% | 91.49% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.14% | 94.42% |
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 | 163032637 |
| LOTUS | LTS0168336 |
| wikiData | Q105141334 |