[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 9d9aca88-e755-4fb0-b299-25fb24451a3e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)OC2C(C(C(OC2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)CO)O)O)O |
| InChI | InChI=1S/C30H26O13/c31-13-21-24(37)26(39)29(42-22(36)10-3-14-1-6-16(32)7-2-14)30(41-21)43-28-25(38)23-19(35)11-18(34)12-20(23)40-27(28)15-4-8-17(33)9-5-15/h1-12,21,24,26,29-35,37,39H,13H2 |
| InChI Key | IKONEAPXVKTZFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O13 |
| Molecular Weight | 594.50 g/mol |
| Exact Mass | 594.13734088 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b1798ca0-855f-11ee-8b8d-53db726507f0.jpg "2D Structure of [2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxyphenyl)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 | 99.55% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.40% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.17% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 96.73% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.73% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.70% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.25% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.21% | 91.49% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.84% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.66% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.39% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.44% | 98.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.21% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.97% | 96.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.61% | 95.78% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 84.68% | 88.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.56% | 99.15% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.10% | 95.50% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.44% | 97.53% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.98% | 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.
| Allium obliquum |
| Allium triquetrum |
| Camellia sinensis |
| Quercus suber |
| Rubus rigidus |
| PubChem | 71341515 |
| LOTUS | LTS0200492 |
| wikiData | Q105114846 |