5,6-Dihydroxy-2-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
| Internal ID | ac11610e-d11c-4a34-a905-9781f429f9b1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 5,6-dihydroxy-2-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C22H28O14/c1-6-3-8(23)12-9(33-6)4-10(14(25)16(12)27)35-22-20(31)18(29)15(26)11(36-22)5-32-21-19(30)17(28)13(24)7(2)34-21/h3-4,7,11,13,15,17-22,24-31H,5H2,1-2H3 |
| InChI Key | JYIVYVFUUKYCSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H28O14 |
| Molecular Weight | 516.40 g/mol |
| Exact Mass | 516.14790556 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -2.00 |
| There are no found synonyms. |
![2D Structure of 5,6-Dihydroxy-2-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6f075d80-8760-11ee-a386-7fb11b15fafb.jpg "2D Structure of 5,6-Dihydroxy-2-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]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 | 98.53% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.40% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.98% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.22% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.82% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.23% | 91.49% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.84% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.14% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.92% | 86.92% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.72% | 89.34% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.05% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.70% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.64% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.37% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.16% | 96.90% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.07% | 95.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.71% | 95.89% |
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.
| Crossosoma bigelovii |
| PubChem | 56663796 |
| LOTUS | LTS0073942 |
| wikiData | Q105137053 |