[(2R,3S,4S,5R,6R)-6-[(2R,4R)-4-acetyloxy-5-methyl-2-prop-1-en-2-ylhex-5-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | 3d7d2e9a-47d0-4326-a846-96505621d633 |
| 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)-6-[(2R,4R)-4-acetyloxy-5-methyl-2-prop-1-en-2-ylhex-5-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O9/c1-10(2)14(7-15(11(3)4)28-13(6)22)8-27-20-19(25)18(24)17(23)16(29-20)9-26-12(5)21/h14-20,23-25H,1,3,7-9H2,2,4-6H3/t14-,15+,16+,17+,18-,19+,20+/m0/s1 |
| InChI Key | ZJRJGAUGFAKVDQ-BDBHOTGSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O9 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6R)-6-[(2R,4R)-4-acetyloxy-5-methyl-2-prop-1-en-2-ylhex-5-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9a862930-8596-11ee-bb0c-47c9cbfd7adb.jpg "2D Structure of [(2R,3S,4S,5R,6R)-6-[(2R,4R)-4-acetyloxy-5-methyl-2-prop-1-en-2-ylhex-5-enoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.14% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.55% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.25% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.68% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.13% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.79% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.21% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.65% | 94.73% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.26% | 92.29% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.85% | 94.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.81% | 95.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.57% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.11% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.66% | 94.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.32% | 91.49% |
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.
| Helenium donianum |
| PubChem | 162868902 |
| LOTUS | LTS0069808 |
| wikiData | Q105378083 |