10-Hydroxyoleoside dimethyl ester
| Internal ID | f9797905-45e6-4f04-9777-4c406c337fbc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides |
| IUPAC Name | methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
| SMILES (Canonical) | COC(=O)CC1C(=COC(C1=CCO)OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC |
| SMILES (Isomeric) | COC(=O)C[C@@H]\1C(=CO[C@H](/C1=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC |
| InChI | InChI=1S/C18H26O12/c1-26-12(21)5-9-8(3-4-19)17(28-7-10(9)16(25)27-2)30-18-15(24)14(23)13(22)11(6-20)29-18/h3,7,9,11,13-15,17-20,22-24H,4-6H2,1-2H3/b8-3+/t9-,11+,13+,14-,15+,17-,18-/m0/s1 |
| InChI Key | ZJOVYMALVBUVMI-BPOHLUMASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O12 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | -2.90 |
| 10-Hydroxyoleoside dimethyl ester |
| methyl (4S,5E,6S)-5-(2-hydroxyethylidene)-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
| 10-Hydroxyoleosidedimethylester |
| AKOS040762761 |
| 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 | 96.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.55% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.30% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.93% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.01% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.76% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.90% | 85.14% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.12% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.81% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.14% | 95.83% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.44% | 95.64% |
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.
| Ligustrum vulgare |
| PubChem | 11351007 |
| LOTUS | LTS0224292 |
| wikiData | Q105378026 |