Aureol
| Internal ID | 8f13b772-76a1-4bfb-8ca3-bc94a96a5629 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| SMILES (Canonical) | C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O |
| SMILES (Isomeric) | C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O |
| InChI | InChI=1S/C15H8O6/c16-6-1-2-8-10(4-6)20-14-12(8)15(19)21-11-5-7(17)3-9(18)13(11)14/h1-5,16-18H |
| InChI Key | WIRRQLQRDSREEG-UHFFFAOYSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C15H8O6 |
| Molecular Weight | 284.22 g/mol |
| Exact Mass | 284.03208797 g/mol |
| Topological Polar Surface Area (TPSA) | 100.00 Ų |
| XlogP | 2.40 |
| 88478-03-9 |
| 1,3,9-Trihydroxycoumestan |
| 1,3,9-trihydroxy-[1]benzofuro[3,2-c]chromen-6-one |
| Aureol (phytoalexin) |
| Aureol? |
| SCHEMBL517478 |
| DTXSID00237071 |
| CHEBI:169763 |
| LMPK12090039 |
| 1,3,9-trihydroxy-[1]benzouro[3,2-c]chromen-6-one |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.74% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.01% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.75% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.62% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.86% | 98.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.68% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.00% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.76% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.62% | 99.23% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.52% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.51% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.97% | 94.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.83% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
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.
| Flemingia macrophylla |
| Phaseolus coccineus |
| Vigna mungo |
| Vigna radiata |
| Vigna radiata var. radiata |
| PubChem | 5491648 |
| LOTUS | LTS0219046 |
| wikiData | Q105153501 |