[(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | bb2608c6-63e7-4632-a8c3-614ebe728cba |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H28O14/c31-15-5-1-13(2-6-15)3-8-22(36)41-12-21-24(37)26(39)27(40)30(43-21)44-29-25(38)23-19(35)10-16(32)11-20(23)42-28(29)14-4-7-17(33)18(34)9-14/h1-11,21,24,26-35,37,39-40H,12H2/b8-3+/t21-,24-,26+,27-,28+,29+,30+/m1/s1 |
| InChI Key | MYECUTDDJFJLSS-ASKWOVAPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H28O14 |
| Molecular Weight | 612.50 g/mol |
| Exact Mass | 612.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8acfb970-85dc-11ee-a32c-413d961e7e85.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-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 | 99.74% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.25% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.25% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.81% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.84% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.49% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.47% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.71% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.63% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.94% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.91% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.19% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.12% | 99.15% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.80% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.59% | 98.95% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.70% | 89.67% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.60% | 86.92% |
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.
| There are no matching plants. |
| PubChem | 163194144 |
| LOTUS | LTS0217803 |
| wikiData | Q105174825 |