[(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 1a34b944-c872-4b21-9bb1-b1c13ad19077 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1C2=C(C=C(C=C2OC(=C1OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)C5=CC(=C(C=C5)O)O)O)O |
| SMILES (Isomeric) | C1C2=C(C=C(C=C2OC(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC(=C(C=C5)O)O)O)O |
| InChI | InChI=1S/C30H28O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-11,24,26-28,30-35,37-39H,12-13H2/b8-3+/t24-,26-,27+,28-,30-/m1/s1 |
| InChI Key | LTRRTGCXRIMDTF-ZAVNNGICSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O13 |
| Molecular Weight | 596.50 g/mol |
| Exact Mass | 596.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/83d6e890-8445-11ee-94e5-1bc7332016d1.jpg "2D Structure of [(2R,3S,4S,5R,6S)-6-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-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 | 99.51% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.54% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.27% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.81% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.67% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 91.71% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.35% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.03% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.92% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.13% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.10% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.51% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.33% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.10% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.26% | 95.78% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.90% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.33% | 90.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.80% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.70% | 99.23% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 81.43% | 97.03% |
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.
| Potentilla anserina |
| PubChem | 163186934 |
| LOTUS | LTS0132566 |
| wikiData | Q105157130 |