[(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Internal ID | a6953817-a76c-423a-9e49-773d07f82973 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H34O18/c1-10(32)43-9-19-23(37)25(39)27(41)29(47-19)48-28-26(40)22(36)18(8-31)46-30(28)45-17-7-16-20(24(38)21(17)35)13(34)6-15(44-16)11-3-4-14(42-2)12(33)5-11/h3-7,18-19,22-23,25-31,33,35-41H,8-9H2,1-2H3/t18-,19-,22-,23-,25-,26+,27-,28-,29+,30-/m1/s1 |
| InChI Key | DGHGHNRVQFJSGO-XBEVWBRISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H34O18 |
| Molecular Weight | 682.60 g/mol |
| Exact Mass | 682.17451423 g/mol |
| Topological Polar Surface Area (TPSA) | 281.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/fe587480-854a-11ee-aae6-bd7d93b0001c.jpg "2D Structure of [(2R,3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.60% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.11% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.64% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.54% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.60% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.45% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.10% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.45% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.92% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.25% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.28% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.75% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.76% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 83.72% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.29% | 95.50% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.02% | 95.64% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.94% | 97.28% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.90% | 96.90% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.86% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.75% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.61% | 92.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.24% | 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.
| Veronica orientalis |
| PubChem | 163062965 |
| LOTUS | LTS0097692 |
| wikiData | Q104978700 |