7-[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
| Internal ID | d7232f8e-0e20-4d5e-9826-17eed832bc27 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | C1C(C(C(O1)OC2C(OC(C(C2O)O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)(CO)O |
| SMILES (Isomeric) | C1C(C(C(O1)OC2C(OC(C(C2O)O)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)(CO)O |
| InChI | InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2 |
| InChI Key | FDRBRRBUPLHXEM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O14 |
| Molecular Weight | 564.50 g/mol |
| Exact Mass | 564.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.90 |
| There are no found synonyms. |
![2D Structure of 7-[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/10473000-8536-11ee-b087-f587c1f6dce0.jpg "2D Structure of 7-[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one")
| 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 | 99.69% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.48% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.16% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.20% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.99% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.21% | 94.45% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 92.96% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.01% | 83.57% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.60% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.92% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.46% | 98.35% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 89.95% | 96.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.60% | 95.93% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.37% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.65% | 86.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.63% | 95.83% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.77% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.80% | 90.71% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 83.26% | 80.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.19% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 82.61% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.50% | 99.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.19% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.91% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.06% | 95.89% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.92% | 95.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.87% | 95.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.54% | 91.71% |
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.
| Apium graveolens |
| PubChem | 22016216 |
| LOTUS | LTS0126335 |
| wikiData | Q104993717 |