8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | ff5f13e9-9c3a-4dbd-8459-b3b0b6f2c438 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C3=C(C=C(C=C3OC2C4=CC=C(C=C4)O)O)O)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C3=C(C=C(C=C3OC2C4=CC=C(C=C4)O)O)O)C5=C(C=C(C6=C5OC(C(C6)O)C7=CC(=C(C=C7)O)O)O)O)O)O)O |
| InChI | InChI=1S/C36H36O15/c1-13-29(45)30(46)31(47)36(48-13)51-35-28(26-22(42)9-17(38)10-25(26)49-33(35)14-2-5-16(37)6-3-14)27-23(43)12-20(40)18-11-24(44)32(50-34(18)27)15-4-7-19(39)21(41)8-15/h2-10,12-13,24,28-33,35-47H,11H2,1H3 |
| InChI Key | WYQCVHLTCBKNII-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36O15 |
| Molecular Weight | 708.70 g/mol |
| Exact Mass | 708.20542044 g/mol |
| Topological Polar Surface Area (TPSA) | 259.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/65934e10-87df-11ee-8d85-93dde6a3daf5.jpg "2D Structure of 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol")
| 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 | 99.67% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.25% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.00% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.59% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.65% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.21% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.78% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.76% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.09% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.54% | 97.53% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.97% | 99.15% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.33% | 82.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.22% | 97.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 80.39% | 99.35% |
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.
| Quercus ilex |
| PubChem | 163002380 |
| LOTUS | LTS0037207 |
| wikiData | Q105322477 |