[3,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate
| Internal ID | 1781e839-5544-4cf4-9d0c-930be9e867fc |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O15/c1-10-19(33)22(36)23(37)28(39-10)42-15-8-16(32)18-17(9-15)43-25(13-4-6-14(31)7-5-13)27(21(18)35)44-29-24(38)26(41-12(3)30)20(34)11(2)40-29/h4-11,19-20,22-24,26,28-29,31-34,36-38H,1-3H3 |
| InChI Key | HDWMNUJZNUJIFF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O15 |
| Molecular Weight | 620.60 g/mol |
| Exact Mass | 620.17412031 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [3,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a8a95040-8756-11ee-9395-11f985cc64c7.jpg "2D Structure of [3,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate")
| 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 | 99.20% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.77% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.98% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.56% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 95.29% | 95.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.61% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.88% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.29% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.20% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.67% | 95.78% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.29% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.65% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.21% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.73% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.24% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.07% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.56% | 97.36% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.02% | 94.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.33% | 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.
| Psacalium megaphyllum |
| PubChem | 74184165 |
| LOTUS | LTS0078181 |
| wikiData | Q105026621 |