Isoetin 7-glucoside-2'-xyloside
| Internal ID | 6a7da9e7-8797-438f-a8f2-013f97754b0b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 2-[4,5-dihydroxy-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | C1C(C(C(C(O1)OC2=CC(=C(C=C2C3=CC(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H](C([C@@H](O1)OC2=CC(=C(C=C2C3=CC(=O)C4=C(C=C(C=C4O3)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C26H28O16/c27-6-18-21(34)22(35)24(37)26(42-18)39-8-1-12(30)19-13(31)5-15(40-17(19)2-8)9-3-10(28)11(29)4-16(9)41-25-23(36)20(33)14(32)7-38-25/h1-5,14,18,20-30,32-37H,6-7H2/t14-,18?,20+,21-,22+,23?,24?,25+,26-/m1/s1 |
| InChI Key | AANLEWIAEUDQBM-XDCTWSHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O16 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.13773480 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | -1.60 |
| LMPK12110885 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.54% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.34% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.23% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.81% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.59% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.57% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 92.31% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 92.04% | 90.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.56% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.87% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.63% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.46% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.54% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.29% | 95.78% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.23% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.44% | 94.73% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.35% | 80.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.01% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.01% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.81% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.49% | 86.33% |
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.
| Hypochaeris maculata |
| PubChem | 44258286 |
| LOTUS | LTS0243094 |
| wikiData | Q104397945 |