[(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate
| Internal ID | bd1bcc49-c3eb-47e1-b185-e6d7b17ade48 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H42O21/c1-11-29(51-12(2)37)32(56-34-26(46)24(44)21(41)18(9-36)53-34)28(48)33(50-11)49-10-19-22(42)25(45)27(47)35(54-19)55-31-23(43)20-16(40)7-15(39)8-17(20)52-30(31)13-3-5-14(38)6-4-13/h3-8,11,18-19,21-22,24-29,32-36,38-42,44-48H,9-10H2,1-2H3/t11-,18+,19+,21+,22-,24-,25-,26-,27+,28+,29-,32-,33+,34-,35-/m0/s1 |
| InChI Key | YUPYCKHOCPEDLM-FPNJWVCZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H42O21 |
| Molecular Weight | 798.70 g/mol |
| Exact Mass | 798.22185834 g/mol |
| Topological Polar Surface Area (TPSA) | 331.00 Ų |
| XlogP | -1.90 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0523f640-8285-11ee-9695-3103a1b1decf.jpg "2D Structure of [(2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-5-hydroxy-2-methyl-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] acetate")
| 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 | 99.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.33% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.61% | 95.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.08% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.01% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.68% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.04% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.27% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.51% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.87% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.56% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.23% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.51% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.67% | 99.15% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.83% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 81.69% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.57% | 99.23% |
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.
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| There are no matching plants. |
| PubChem | 162973631 |
| LOTUS | LTS0077717 |
| wikiData | Q105364370 |