(2R,3S,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol
| Internal ID | 9ba0c196-6a6c-4494-8899-262fdc061a57 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (2R,3S,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H40O12/c1-12(5-6-24-21(2,3)7-13(27)8-22(24,4)36-24)33-19-17(16(29)15(28)14(9-25)34-19)35-20-18(30)23(31,10-26)11-32-20/h5-6,12-20,25-31H,7-11H2,1-4H3/b6-5+/t12-,13+,14-,15-,16+,17-,18+,19-,20-,22-,23+,24+/m1/s1 |
| InChI Key | YABRKIPLNHWVOR-RYSXSOLMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H40O12 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.25197671 g/mol |
| Topological Polar Surface Area (TPSA) | 191.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/973b0f70-87ff-11ee-a911-0deb0b443915.jpg "2D Structure of (2R,3S,4S,5R,6R)-5-[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-[(E,2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-yl]oxyoxane-3,4-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 99.14% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.34% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.04% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.19% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.81% | 95.89% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.38% | 92.32% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.45% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.78% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.24% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.43% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.93% | 95.83% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.82% | 94.73% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.41% | 95.58% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.20% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.03% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.39% | 99.17% |
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.
| Acanthus ebracteatus |
| PubChem | 163006820 |
| LOTUS | LTS0097645 |
| wikiData | Q105345291 |