4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one
| Internal ID | 5ef2da37-c0bc-4853-9598-7e5e453aa4ac |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > Furanoflavones |
| IUPAC Name | 4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)(C)C |
| SMILES (Isomeric) | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)(C)C |
| InChI | InChI=1S/C20H18O5/c1-10-20(2,3)18-16(24-10)9-15-17(19(18)23)13(22)8-14(25-15)11-4-6-12(21)7-5-11/h4-10,21,23H,1-3H3 |
| InChI Key | YPVUORZILHLSOT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-7-4-hydroxyphenyl-233-trimethyl-2h-furo32-gchromen-5-one.jpg "2D Structure of 4-hydroxy-7-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-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 | 98.21% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.13% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.15% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 93.59% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.69% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.00% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.25% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.49% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.43% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.71% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.64% | 98.35% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.11% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.03% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 82.39% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.04% | 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.
| Helminthostachys zeylanica |
| PubChem | 45270713 |
| LOTUS | LTS0135188 |
| wikiData | Q105351884 |