2-(3,4-Dihydroxyphenyl)-5-hydroxy-2,3,9,10-tetrahydropyrano[3,2-i][1]benzoxepin-4-one
| Internal ID | a00a276e-e1c2-4e25-b4ba-aa9f43a996f6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3,9,10-tetrahydropyrano[3,2-i][1]benzoxepin-4-one |
| SMILES (Canonical) | C1COC2=C3C(=C(C=C2C=C1)O)C(=O)CC(O3)C4=CC(=C(C=C4)O)O |
| SMILES (Isomeric) | C1COC2=C3C(=C(C=C2C=C1)O)C(=O)CC(O3)C4=CC(=C(C=C4)O)O |
| InChI | InChI=1S/C19H16O6/c20-12-5-4-10(7-13(12)21)16-9-15(23)17-14(22)8-11-3-1-2-6-24-18(11)19(17)25-16/h1,3-5,7-8,16,20-22H,2,6,9H2 |
| InChI Key | YNXPTIDORKSKGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O6 |
| Molecular Weight | 340.30 g/mol |
| Exact Mass | 340.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 2-(3,4-Dihydroxyphenyl)-5-hydroxy-2,3,9,10-tetrahydropyrano[3,2-i][1]benzoxepin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-34-dihydroxyphenyl-5-hydroxy-23910-tetrahydropyrano32-i1benzoxepin-4-one.jpg "2D Structure of 2-(3,4-Dihydroxyphenyl)-5-hydroxy-2,3,9,10-tetrahydropyrano[3,2-i][1]benzoxepin-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.37% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.21% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.11% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.39% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.25% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.65% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.41% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.29% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.53% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.33% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.91% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.65% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
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.
| Wyethia mollis |
| PubChem | 162964243 |
| LOTUS | LTS0042709 |
| wikiData | Q105351152 |