3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Internal ID | 16adf317-fb28-4b7c-968f-2c5a3bb57b1e |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)COC6C(C(C(CO6)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C32H38O19/c1-10-19(37)23(41)26(44)31(47-10)51-29-24(42)21(39)17(9-46-30-25(43)20(38)15(36)8-45-30)49-32(29)50-28-22(40)18-14(35)6-13(34)7-16(18)48-27(28)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,29-39,41-44H,8-9H2,1H3/t10-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30-,31-,32-/m0/s1 |
InChI Key | UOUUHUNWVKKMRL-RWPOIHIKSA-N |
Popularity | 0 references in papers |
Molecular Formula | C32H38O19 |
Molecular Weight | 726.60 g/mol |
Exact Mass | 726.20072898 g/mol |
Topological Polar Surface Area (TPSA) | 304.00 Ų |
XlogP | -2.50 |
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 | 99.68% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.03% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 98.22% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.07% | 89.00% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.15% | 95.64% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.47% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.92% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.16% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.74% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.25% | 95.56% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.38% | 94.75% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.65% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.33% | 90.00% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 84.48% | 80.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.33% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.92% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.79% | 99.17% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.65% | 99.15% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.59% | 93.10% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.36% | 97.36% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 80.79% | 95.93% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.22% | 94.45% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.12% | 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.
Primula hirsuta |
PubChem | 102321609 |
LOTUS | LTS0232283 |
wikiData | Q105276580 |