6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Internal ID | e2a9d3ae-835a-42ed-9ac0-4c8e971071e7 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
SMILES (Canonical) | C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | C1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16-,19-,20-,22+,23-,24+,25-,26+/m1/s1 |
InChI Key | ACRIYYKEWCXQOS-RQYTXNHGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H28O14 |
Molecular Weight | 564.50 g/mol |
Exact Mass | 564.14790556 g/mol |
Topological Polar Surface Area (TPSA) | 236.00 Ų |
XlogP | -1.30 |
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 | 99.80% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.66% | 94.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.65% | 83.57% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.57% | 97.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.22% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.61% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.54% | 85.14% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.43% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.32% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.67% | 94.45% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.18% | 80.33% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.00% | 95.83% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.10% | 96.21% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.15% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 82.96% | 94.73% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.71% | 95.78% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.32% | 91.71% |
CHEMBL3194 | P02766 | Transthyretin | 81.44% | 90.71% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.02% | 97.28% |
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.
Avena sativa |
PubChem | 157073310 |
LOTUS | LTS0024529 |
wikiData | Q104909249 |