2-[3,4-Bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | abde5995-bcc6-41da-9eb0-86773e0c9139 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-[3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)50-12-2-1-9(3-13(12)51-32-27(47)24(44)20(40)16(7-35)53-32)29-30(22(42)18-11(38)4-10(37)5-14(18)49-29)55-33-28(48)25(45)21(41)17(8-36)54-33/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2 |
| InChI Key | ORLCCXFOUIQWHP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O22 |
| Molecular Weight | 788.70 g/mol |
| Exact Mass | 788.20112290 g/mol |
| Topological Polar Surface Area (TPSA) | 365.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-[3,4-Bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/68c79fb0-8579-11ee-aa71-bd5cfbfb59e9.jpg "2D Structure of 2-[3,4-Bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]phenyl]-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one")
| 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 | 97.45% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.18% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.63% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 92.59% | 95.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.63% | 86.92% |
| CHEMBL3194 | P02766 | Transthyretin | 91.23% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.17% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.15% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.61% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.52% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.29% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.88% | 95.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.82% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.02% | 95.56% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.37% | 95.53% |
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.
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| There are no matching plants. |
| PubChem | 74978228 |
| LOTUS | LTS0136279 |
| wikiData | Q105198022 |