8-Hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
| Internal ID | 105a228b-f7c3-42aa-a19c-8097127e944a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 8-hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one |
| SMILES (Canonical) | CC1CC2=C(C(=CC(=C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)C(=O)O1 |
| SMILES (Isomeric) | CC1CC2=C(C(=CC(=C2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O)C(=O)O1 |
| InChI | InChI=1S/C21H28O13/c1-7-2-8-3-9(4-10(22)13(8)19(29)32-7)33-21-18(28)16(26)15(25)12(34-21)6-31-20-17(27)14(24)11(23)5-30-20/h3-4,7,11-12,14-18,20-28H,2,5-6H2,1H3 |
| InChI Key | RGAZATYIEXVYLN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O13 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.15299094 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | -1.80 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/54c03770-862d-11ee-88b2-0713f2f0ee59.jpg "2D Structure of 8-Hydroxy-3-methyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-3,4-dihydroisochromen-1-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 | 98.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.51% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.61% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.89% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.88% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.14% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.11% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.50% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.87% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.19% | 91.07% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 82.91% | 80.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.51% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.25% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.41% | 96.21% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.34% | 97.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.23% | 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.
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| There are no matching plants. |
| PubChem | 73048714 |
| LOTUS | LTS0066864 |
| wikiData | Q105235748 |