[6-[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | f96a4a0d-4184-45fa-8ffd-7ff24dbb140b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [6-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H46O24/c1-58-23-8-15(2-5-19(23)45)3-7-27(49)59-14-26-31(52)34(55)36(57)41(64-26)66-39-29(50)22(48)13-60-42(39)65-38-32(53)28-21(47)10-17(61-40-35(56)33(54)30(51)25(12-43)63-40)11-24(28)62-37(38)16-4-6-18(44)20(46)9-16/h2-11,22,25-26,29-31,33-36,39-48,50-52,54-57H,12-14H2,1H3 |
| InChI Key | FRAGXEORXUIKAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H46O24 |
| Molecular Weight | 934.80 g/mol |
| Exact Mass | 934.23790233 g/mol |
| Topological Polar Surface Area (TPSA) | 380.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of [6-[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3321ac60-8572-11ee-8192-1f04e3eeebad.jpg "2D Structure of [6-[2-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)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 | 99.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.23% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.76% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.10% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.15% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.95% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.44% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.96% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.43% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 90.31% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.17% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.80% | 95.64% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.51% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.15% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.71% | 86.92% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.70% | 95.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.03% | 95.78% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.75% | 95.83% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.69% | 80.78% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.40% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.83% | 94.73% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.68% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.30% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.88% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.81% | 92.62% |
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.
| Carrichtera annua |
| PubChem | 74978243 |
| LOTUS | LTS0072672 |
| wikiData | Q105000039 |