3-O-Feruloyl-6'-O-(4-O-beta-D-glucopyranosylferuloyl)sucrose
| Internal ID | cc8ab91d-5952-4ab0-a598-08ff946015aa |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H48O22/c1-52-21-11-17(3-7-19(21)42)6-10-27(44)58-35-30(47)24(14-40)59-38(35,16-41)60-37-34(51)32(49)29(46)25(57-37)15-54-26(43)9-5-18-4-8-20(22(12-18)53-2)55-36-33(50)31(48)28(45)23(13-39)56-36/h3-12,23-25,28-37,39-42,45-51H,13-16H2,1-2H3/b9-5+,10-6+/t23-,24-,25-,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38+/m1/s1 |
| InChI Key | LNADBRJCSVTTPA-OYPYVSOESA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C38H48O22 |
| Molecular Weight | 856.80 g/mol |
| Exact Mass | 856.26372315 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | -2.20 |
| 3-O-Feruloyl-6'-O-(4-O-beta-D-glucopyranosylferuloyl)sucrose |
| 3-O-Feruloyl-6 inverted exclamation marka-O-(4-O-|A-D-glucopyranosylferuloyl)sucrose |
| orb1941423 |
| HY-N11497 |
| CS-0648120 |
| H50731 |
| 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 | 99.18% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.87% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.75% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.27% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.90% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.55% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.08% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.37% | 85.14% |
| CHEMBL3194 | P02766 | Transthyretin | 90.92% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.87% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.73% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.17% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.63% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.73% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.83% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.16% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.71% | 89.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.10% | 86.92% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.91% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.69% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.01% | 92.62% |
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.
| Lilium henryi |
| Lilium mackliniae |
| PubChem | 101450504 |
| LOTUS | LTS0134507 |
| wikiData | Q105154233 |