2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-(3,5,6-trihydroxy-4-methyloxan-2-yl)oxychromen-4-one
| Internal ID | 2bdb9fb9-83ff-422b-9f66-bafb96e84ec0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,5,6-trihydroxy-4-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(OC(C1O)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(OC(C1O)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O |
| InChI | InChI=1S/C21H20O11/c1-7-15(25)20(29)32-21(16(7)26)30-9-5-12(24)14-13(6-9)31-19(18(28)17(14)27)8-2-3-10(22)11(23)4-8/h2-7,15-16,20-26,28-29H,1H3 |
| InChI Key | KWYHWBQEIQXCFS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O11 |
| Molecular Weight | 448.40 g/mol |
| Exact Mass | 448.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.89% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.41% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.88% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.52% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.74% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.07% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.73% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.81% | 95.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.34% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.86% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.47% | 94.80% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.01% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 85.68% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.34% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.84% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.56% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.64% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.00% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.17% | 93.65% |
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.
| Aconitum baicalense |
| PubChem | 162983394 |
| LOTUS | LTS0096613 |
| wikiData | Q105147210 |