[(2R,3R,4S,5R,6S)-2-[[(E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxymethyl]-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxyoxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | c3e7a0a8-93ac-4d6a-a681-9b56a80ffc18 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
| IUPAC Name | [(2R,3R,4S,5R,6S)-2-[[(E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxymethyl]-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxyoxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H46O20/c1-63-35-20-28(10-15-32(35)55)43(59)38(23-51)66-34-16-5-26(19-36(34)64-2)7-17-40(57)65-24-39-44(60)48(69-41(58)18-6-25-3-11-29(52)12-4-25)46(62)50(68-39)70-49-45(61)42-33(56)21-31(54)22-37(42)67-47(49)27-8-13-30(53)14-9-27/h3-22,38-39,43-44,46,48,50-56,59-60,62H,23-24H2,1-2H3/b17-7+,18-6-/t38-,39-,43-,44-,46-,48+,50+/m1/s1 |
| InChI Key | WGYORXDPWQXLQS-XWGFJVDISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H46O20 |
| Molecular Weight | 966.90 g/mol |
| Exact Mass | 966.25824385 g/mol |
| Topological Polar Surface Area (TPSA) | 307.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6S)-2-[[(E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxymethyl]-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxyoxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/32beadc0-85e0-11ee-ad3c-f329ad9b4e4a.jpg "2D Structure of [(2R,3R,4S,5R,6S)-2-[[(E)-3-[4-[(1R,2R)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]prop-2-enoyl]oxymethyl]-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxyoxan-4-yl] (Z)-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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 99.20% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.97% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.67% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.23% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.10% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.65% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.06% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 94.00% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.42% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.08% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.73% | 89.62% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.51% | 95.64% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.65% | 86.92% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.46% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 86.89% | 97.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.80% | 96.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.89% | 97.09% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.13% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.10% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.20% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.96% | 91.49% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.19% | 94.33% |
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.
| Stenochlaena palustris |
| PubChem | 163000409 |
| LOTUS | LTS0045091 |
| wikiData | Q105305126 |