[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Internal ID | 540f298a-3177-4fd4-84eb-47baebe967d9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)O |
| InChI | InChI=1S/C31H28O14/c1-42-22-8-13(2-5-16(22)34)3-7-24(39)45-31-28(41)27(40)23(12-32)44-30(31)26-19(37)10-18(36)25-20(38)11-21(43-29(25)26)14-4-6-15(33)17(35)9-14/h2-11,23,27-28,30-37,40-41H,12H2,1H3/b7-3+/t23-,27-,28+,30+,31-/m1/s1 |
| InChI Key | DLYIGTJKJDNXEZ-ZJFVSCAFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H28O14 |
| Molecular Weight | 624.50 g/mol |
| Exact Mass | 624.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/ada5b490-81a9-11ee-a4d5-bbe531a4e106.jpg "2D Structure of [(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-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 | 99.77% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.40% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.30% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.35% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.60% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.36% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 92.64% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.29% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.68% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.21% | 96.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.50% | 86.92% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.07% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.37% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.30% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.14% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.03% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.71% | 97.28% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.75% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.35% | 94.45% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 82.25% | 91.73% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.56% | 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.
| Trollius ledebourii |
| PubChem | 101740945 |
| LOTUS | LTS0137382 |
| wikiData | Q104984856 |