[3,4,5-Trihydroxy-6-(5-methyl-2-prop-1-en-2-ylhexa-3,5-dienoxy)oxan-2-yl]methyl acetate
| Internal ID | 18359a10-5b7e-47c0-b153-9cdc02e9a509 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | [3,4,5-trihydroxy-6-(5-methyl-2-prop-1-en-2-ylhexa-3,5-dienoxy)oxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H28O7/c1-10(2)6-7-13(11(3)4)8-24-18-17(22)16(21)15(20)14(25-18)9-23-12(5)19/h6-7,13-18,20-22H,1,3,8-9H2,2,4-5H3 |
| InChI Key | QQUOWXXVHNHTIM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O7 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-(5-methyl-2-prop-1-en-2-ylhexa-3,5-dienoxy)oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/345-trihydroxy-6-5-methyl-2-prop-1-en-2-ylhexa-35-dienoxyoxan-2-ylmethyl-acetate.jpg "2D Structure of [3,4,5-Trihydroxy-6-(5-methyl-2-prop-1-en-2-ylhexa-3,5-dienoxy)oxan-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 | 96.35% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.60% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.08% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.84% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.44% | 94.73% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.30% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.99% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.88% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.67% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.90% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.73% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.78% | 95.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.78% | 96.47% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.74% | 95.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.30% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.27% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.48% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.66% | 94.33% |
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 | 163014171 |
| LOTUS | LTS0097755 |
| wikiData | Q105226062 |