[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
| Internal ID | 09042f32-88d1-44b4-a60a-127c5dcc98a5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
| IUPAC Name | [2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O |
| InChI | InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2 |
| InChI Key | KVXWWRLZEGVWRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O15 |
| Molecular Weight | 600.50 g/mol |
| Exact Mass | 600.11152005 g/mol |
| Topological Polar Surface Area (TPSA) | 264.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/488db2a0-862d-11ee-8286-5db10b360931.jpg "2D Structure of [2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.72% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.65% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.59% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.96% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.66% | 90.71% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.63% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.45% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.62% | 99.15% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.08% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.81% | 86.92% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 88.19% | 89.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.62% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.25% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.03% | 94.73% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.89% | 81.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.72% | 91.24% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.36% | 97.28% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.88% | 95.83% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.82% | 95.64% |
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.
| Pelargonium reniforme |
| PubChem | 21159145 |
| LOTUS | LTS0084748 |
| wikiData | Q105146796 |