[6-[5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
| Internal ID | a9244813-29ca-4041-be3e-ee4083a8c61d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid 3-O-p-coumaroyl glycosides |
| IUPAC Name | [6-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O |
| InChI | InChI=1S/C31H28O15/c1-42-20-6-4-14(9-18(20)35)29-30(26(39)24-19(36)10-15(32)11-21(24)44-29)46-31-28(41)27(40)25(38)22(45-31)12-43-23(37)7-3-13-2-5-16(33)17(34)8-13/h2-11,22,25,27-28,31-36,38,40-41H,12H2,1H3 |
| InChI Key | OAVRWAKURBHABX-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-[5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/671dc920-85e3-11ee-9937-9310087d4206.jpg "2D Structure of [6-[5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)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 | 99.34% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.98% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.70% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.53% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.02% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 95.85% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.04% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.53% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.79% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 88.75% | 80.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.18% | 95.64% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.98% | 95.50% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.52% | 95.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.71% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.44% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.35% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.30% | 90.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 82.50% | 98.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.45% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.95% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.27% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73299134 |
| LOTUS | LTS0101557 |
| wikiData | Q105188843 |