[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | a2b31a75-136e-4c69-908f-cdc8f1086eca |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H44O21/c1-16-28(47)32(51)34(53)39(57-16)58-21-12-22(44)27-24(13-21)59-36(18-5-9-20(43)10-6-18)37(31(27)50)61-41-38(29(48)23(45)14-56-41)62-40-35(54)33(52)30(49)25(60-40)15-55-26(46)11-4-17-2-7-19(42)8-3-17/h2-13,16,23,25,28-30,32-35,38-45,47-49,51-54H,14-15H2,1H3/b11-4+/t16-,23+,25+,28-,29-,30+,32+,33-,34+,35+,38+,39-,40-,41-/m0/s1 |
| InChI Key | AEXBYBXMXTZFMW-MZXWAAJHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H44O21 |
| Molecular Weight | 872.80 g/mol |
| Exact Mass | 872.23750841 g/mol |
| Topological Polar Surface Area (TPSA) | 331.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3b101ec0-8591-11ee-86bf-a57580a5fdbe.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.83% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.93% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.13% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.08% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.16% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.53% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.32% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.05% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.59% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.00% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.00% | 95.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.72% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 87.56% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.99% | 90.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.03% | 97.36% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.57% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.89% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.42% | 86.92% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.33% | 85.31% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.05% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.17% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.62% | 94.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.60% | 95.89% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.40% | 80.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.13% | 91.71% |
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.
| Oxytropis myriophylla |
| PubChem | 21577080 |
| LOTUS | LTS0076528 |
| wikiData | Q104910730 |