6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | 31d09ad2-e624-480f-ba6e-95c5c4d9161e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 6-(4,5-dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(CC(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)OC)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| InChI | InChI=1S/C28H32O14/c1-10-23(33)14(32)7-17(39-10)22-19(41-28-27(37)26(36)24(34)20(9-29)42-28)8-18-21(25(22)35)13(31)6-16(40-18)11-3-4-15(38-2)12(30)5-11/h3-6,8,10,14,17,20,23-24,26-30,32-37H,7,9H2,1-2H3 |
| InChI Key | VIFHMFGCECKEBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O14 |
| Molecular Weight | 592.50 g/mol |
| Exact Mass | 592.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/205b0310-8561-11ee-9648-599ea59a733f.jpg "2D Structure of 6-(4,5-Dihydroxy-6-methyloxan-2-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-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 | 99.48% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.01% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.78% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.73% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.40% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.29% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.78% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.65% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.10% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.65% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.06% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.34% | 95.89% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.29% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.11% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.92% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.50% | 86.92% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.89% | 95.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.80% | 95.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.24% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.22% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.08% | 99.15% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.18% | 97.33% |
| PubChem | 73814453 |
| LOTUS | LTS0047223 |
| wikiData | Q105286816 |