6-(5,7-Dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Internal ID | f3ddd62d-def7-4ee4-a5b6-6d331b32f412 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-8-O-glucuronides |
| IUPAC Name | 6-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O |
| InChI | InChI=1S/C21H18O11/c22-9-6-11(24)17(31-21-16(27)14(25)15(26)19(32-21)20(28)29)18-13(9)10(23)7-12(30-18)8-4-2-1-3-5-8/h1-7,14-16,19,21-22,24-27H,(H,28,29) |
| InChI Key | YFWMSXQNCPRTKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O11 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 1.10 |
| 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 | 99.12% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.28% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.05% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.32% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.45% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.82% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.26% | 99.15% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.10% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.84% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.76% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.74% | 99.17% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 86.22% | 89.23% |
| CHEMBL3194 | P02766 | Transthyretin | 86.05% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.75% | 94.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.03% | 83.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.80% | 94.73% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.24% | 83.57% |
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.
| Scutellaria discolor |
| PubChem | 14180784 |
| LOTUS | LTS0175916 |
| wikiData | Q105347857 |