Epoxygaertneroside
| Internal ID | a4731f25-d533-4038-92ff-6a46d6dd652c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | methyl (1S,2S,4S,5R,6S,7R)-4'-[hydroxy-(4-hydroxyphenyl)methyl]-5'-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-5,2'-furan]-10-carboxylate |
| SMILES (Canonical) | COC(=O)C1=COC(C2C1C3C(C24C=C(C(=O)O4)C(C5=CC=C(C=C5)O)O)O3)OC6C(C(C(C(O6)CO)O)O)O |
| SMILES (Isomeric) | COC(=O)C1=CO[C@@H]([C@H]2[C@@H]1[C@H]3[C@@H]([C@@]24C=C(C(=O)O4)C(C5=CC=C(C=C5)O)O)O3)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O |
| InChI | InChI=1S/C26H28O14/c1-35-22(33)12-8-36-24(39-25-19(32)18(31)17(30)13(7-27)37-25)15-14(12)20-21(38-20)26(15)6-11(23(34)40-26)16(29)9-2-4-10(28)5-3-9/h2-6,8,13-21,24-25,27-32H,7H2,1H3/t13-,14-,15-,16?,17-,18+,19-,20+,21+,24-,25+,26-/m1/s1 |
| InChI Key | JFWOLYYFIRMHLG-QMTFEAEYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H28O14 |
| Molecular Weight | 564.50 g/mol |
| Exact Mass | 564.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | -1.30 |
| CHEMBL504515 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.47% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.28% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.17% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.93% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.34% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.91% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.63% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.57% | 99.17% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.23% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.33% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.73% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.28% | 96.00% |
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.
| Morinda morindoides |
| PubChem | 44559442 |
| LOTUS | LTS0227098 |
| wikiData | Q104399073 |