8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Internal ID | a26dd17a-6d5e-4f04-8a52-7277f37a95e7 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
IUPAC Name | 8-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
SMILES (Canonical) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
InChI | InChI=1S/C28H32O17/c1-40-15-4-9(2-3-10(15)31)14-6-12(33)18-11(32)5-13(34)24(25(18)41-14)44-28-26(22(38)20(36)17(8-30)43-28)45-27-23(39)21(37)19(35)16(7-29)42-27/h2-6,16-17,19-23,26-32,34-39H,7-8H2,1H3 |
InChI Key | DFCXLWVWSHBLPT-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H32O17 |
Molecular Weight | 640.50 g/mol |
Exact Mass | 640.16394955 g/mol |
Topological Polar Surface Area (TPSA) | 275.00 Ų |
XlogP | -1.10 |
There are no found synonyms. |
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 | 99.05% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.25% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.17% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.57% | 99.15% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.63% | 85.14% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.55% | 86.92% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.99% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.96% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.51% | 96.21% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.37% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.18% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.10% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.84% | 94.45% |
CHEMBL3194 | P02766 | Transthyretin | 83.31% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 95.89% |
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.
Setaria italica |
PubChem | 162989370 |
LOTUS | LTS0149259 |
wikiData | Q104977753 |