3-[[(2S,3S,4S,5R,6S)-6-[7-[(2S,3S,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
| Internal ID | b11d8389-3fef-44e4-a5c1-21a889a2a5d4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 3-[[(2S,3S,4S,5R,6S)-6-[7-[(2S,3S,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H48O27/c46-13-27-33(55)36(58)40(62)44(70-27)68-25-8-17(3-5-21(25)48)42-26(69-45-41(63)38(60)35(57)29(72-45)15-65-32(54)12-30(51)52)11-19-22(49)9-18(10-24(19)67-42)66-43-39(61)37(59)34(56)28(71-43)14-64-31(53)6-2-16-1-4-20(47)23(50)7-16/h1-11,27-29,33-41,43-48,50,55-63H,12-15H2,(H,51,52)/t27-,28+,29-,33+,34+,35+,36-,37-,38-,39-,40-,41+,43+,44+,45+/m0/s1 |
| InChI Key | WGZZTBORPZCKEX-HELJEATMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H48O27 |
| Molecular Weight | 1020.80 g/mol |
| Exact Mass | 1020.23829625 g/mol |
| Topological Polar Surface Area (TPSA) | 435.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 3-[[(2S,3S,4S,5R,6S)-6-[7-[(2S,3S,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/11047bb0-8578-11ee-9569-a588308ac680.jpg "2D Structure of 3-[[(2S,3S,4S,5R,6S)-6-[7-[(2S,3S,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-hydroxy-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid")
| 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 | 99.60% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.57% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.87% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.69% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.53% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.51% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.96% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 93.41% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.48% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.53% | 95.83% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.45% | 86.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.84% | 96.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.81% | 83.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.41% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.92% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.46% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.18% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.91% | 94.73% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.51% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.12% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.95% | 94.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.50% | 95.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.11% | 85.14% |
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.
| Cattleya coccinea |
| PubChem | 163185882 |
| LOTUS | LTS0237498 |
| wikiData | Q105305171 |