[6-[2-[2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 4cc5407a-d1da-4308-8292-f24c9b18a110 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [6-[2-[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H36O19/c37-12-23-28(44)32(48)34(55-35-33(49)31(47)29(45)24(54-35)13-50-25(42)8-3-14-1-5-16(38)6-2-14)36(53-23)52-22-11-21-26(30(46)27(22)43)19(41)10-20(51-21)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,43-49H,12-13H2 |
| InChI Key | WGFOYPJYVNYXOJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H36O19 |
| Molecular Weight | 772.70 g/mol |
| Exact Mass | 772.18507891 g/mol |
| Topological Polar Surface Area (TPSA) | 312.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [6-[2-[2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/12c029f0-876d-11ee-aa03-af4470410fd2.jpg "2D Structure of [6-[2-[2-(3,4-Dihydroxyphenyl)-5,6-dihydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 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 | 99.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.91% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.33% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 97.68% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.21% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.03% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.27% | 85.14% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.76% | 86.92% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.44% | 95.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.06% | 95.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.63% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.35% | 96.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.07% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.60% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.59% | 94.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.55% | 80.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.04% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.91% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.89% | 97.28% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.60% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.89% | 95.83% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.38% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.14% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.07% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.51% | 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.
| Globularia bisnagarica |
| PubChem | 74977873 |
| LOTUS | LTS0192249 |
| wikiData | Q105304467 |