[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
| Internal ID | 20cd6734-9465-490e-a633-bbc95dcca71a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H46O24/c43-11-24-32(53)36(57)40(66-27(50)6-2-14-1-5-20(17(47)7-14)62-41-37(58)34(55)30(51)25(12-44)64-41)39(61-24)29-19(49)10-23-28(33(29)54)18(48)9-21(60-23)15-3-4-16(46)22(8-15)63-42-38(59)35(56)31(52)26(13-45)65-42/h1-10,24-26,30-32,34-47,49,51-59H,11-13H2/b6-2+/t24-,25-,26-,30-,31-,32-,34+,35+,36+,37-,38-,39+,40-,41-,42-/m1/s1 |
| InChI Key | LEVGPHANHFWKPD-DFDRSQKDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H46O24 |
| Molecular Weight | 934.80 g/mol |
| Exact Mass | 934.23790233 g/mol |
| Topological Polar Surface Area (TPSA) | 402.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/37bc0d40-8674-11ee-b1e7-7934ffbd3717.jpg "2D Structure of [(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate")
| 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 | 99.68% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.22% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 97.36% | 83.57% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.69% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 95.40% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.14% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.40% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.06% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.72% | 86.92% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.13% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.09% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.88% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.13% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.32% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.73% | 95.78% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.77% | 83.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.63% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.63% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.39% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.89% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.88% | 97.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.44% | 89.34% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.19% | 97.28% |
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.
| Gentiana burseri |
| PubChem | 163194146 |
| LOTUS | LTS0083333 |
| wikiData | Q105150808 |