[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 8fe89702-d206-478c-a83e-c3568de05887 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
| IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H28O15/c1-42-29-18(35)11-19-22(24(29)38)25(39)30(28(44-19)14-5-8-16(33)17(34)10-14)46-31-27(41)26(40)23(37)20(45-31)12-43-21(36)9-4-13-2-6-15(32)7-3-13/h2-11,20,23,26-27,31-35,37-38,40-41H,12H2,1H3 |
| InChI Key | KJWWXDAOVGVYQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H28O15 |
| Molecular Weight | 640.50 g/mol |
| Exact Mass | 640.14282018 g/mol |
| Topological Polar Surface Area (TPSA) | 242.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/14418580-8617-11ee-8daf-bfb23be60305.jpg "2D Structure of [6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-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 | 99.77% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.13% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.13% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.77% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 96.23% | 95.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.03% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.41% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 92.96% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.78% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.70% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.58% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.52% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.94% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.83% | 95.56% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.53% | 80.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.09% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.36% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.39% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.00% | 94.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.26% | 90.00% |
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 | 74978498 |
| LOTUS | LTS0206868 |
| wikiData | Q105142023 |