(2R,3S)-4-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
| Internal ID | c5a74fbd-2f5e-462e-a30a-6f63e679ab26 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 6-prenylated flavones |
| IUPAC Name | (2R,3S)-4-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one |
| SMILES (Canonical) | CC1C(OC2=C1C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)C(C)(C)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](OC2=C1C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)C(C)(C)O |
| InChI | InChI=1S/C21H20O6/c1-10-17-15(27-20(10)21(2,3)25)9-16-18(19(17)24)13(23)8-14(26-16)11-4-6-12(22)7-5-11/h4-10,20,22,24-25H,1-3H3/t10-,20+/m0/s1 |
| InChI Key | WZXFBJOAXYOUSH-WVDJIFEKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-4-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/f133b4a0-85b6-11ee-b96e-b590c9a4d45f.jpg "2D Structure of (2R,3S)-4-hydroxy-7-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-3-methyl-2,3-dihydrofuro[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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.97% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.62% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.30% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.55% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.15% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.08% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.69% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.13% | 85.11% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.14% | 90.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.89% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.79% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.01% | 95.78% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.25% | 98.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.83% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.96% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 80.68% | 90.71% |
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.
| Maclura pomifera |
| PubChem | 163007906 |
| LOTUS | LTS0068166 |
| wikiData | Q105323607 |