[3,5-Dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate
| Internal ID | 830b8a70-3042-4b54-95ad-b5f71494f363 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-8-O-glycosides |
| IUPAC Name | [3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(COC(C1O)OC2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O |
| SMILES (Isomeric) | CC(=O)OC1C(COC(C1O)OC2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O |
| InChI | InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3 |
| InChI Key | GCVSUIXSUGPZMN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O12 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of [3,5-Dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/35-dihydroxy-2-357-trihydroxy-2-4-hydroxyphenyl-4-oxochromen-8-yloxyoxan-4-yl-acetate.jpg "2D Structure of [3,5-Dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-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 | 99.65% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.63% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.77% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.20% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.56% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.55% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.62% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.65% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.14% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.21% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.72% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.57% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.01% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.37% | 97.28% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.29% | 94.80% |
| CHEMBL3194 | P02766 | Transthyretin | 81.14% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.45% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.07% | 90.71% |
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.
| Rhodiola rosea |
| Rhodiola stephani |
| PubChem | 74978530 |
| LOTUS | LTS0127545 |
| wikiData | Q105006516 |