Quercetin 3-robinobioside-7-glucoside
| Internal ID | 30633fa8-66e9-4595-80c6-975352644062 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1[C@@H]([C@@H](C([C@@H](O1)OCC2[C@@H](C(C([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21-,23-,24-,25?,26?,27?,28?,31+,32+,33-/m0/s1 |
| InChI Key | SPUFXPFDJYNCFD-ISAJYCIDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O21 |
| Molecular Weight | 772.70 g/mol |
| Exact Mass | 772.20620828 g/mol |
| Topological Polar Surface Area (TPSA) | 345.00 Ų |
| XlogP | -3.10 |
| LMPK12112062 |
| 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 | 99.65% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.24% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.21% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.05% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.77% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.69% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.69% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.91% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.01% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.31% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.23% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.23% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.28% | 97.36% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.25% | 95.78% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.22% | 80.78% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.43% | 93.65% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.12% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 80.02% | 90.71% |
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.
| Physalis peruviana |
| Strychnos variabilis |
| PubChem | 44259112 |
| LOTUS | LTS0140939 |
| wikiData | Q104397601 |