2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Internal ID | 3d5698a9-9d3d-42d9-b5c6-54ddfba873a1 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
SMILES (Canonical) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
InChI | InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2 |
InChI Key | ODBRNZZJSYPIDI-UHFFFAOYSA-N |
Popularity | 131 references in papers |
Molecular Formula | C21H20O11 |
Molecular Weight | 448.40 g/mol |
Exact Mass | 448.10056145 g/mol |
Topological Polar Surface Area (TPSA) | 197.00 Ų |
XlogP | -0.20 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
SMR000440666 |
Compound NP-000286 |
MEGxp0_000099 |
CHEMBL1302308 |
SCHEMBL14076164 |
ACon1_000742 |
BDBM60724 |
cid_6426860 |
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-.beta.-D-glucopyranosyl-5,7-dihydroxy- |
There are more than 10 synonyms. If you wish to see them all click here. |
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 | 99.74% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.70% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.07% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.66% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.69% | 94.73% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 86.09% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.94% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.16% | 86.92% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.22% | 90.71% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.14% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.04% | 96.21% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.94% | 85.14% |
CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.71% | 89.23% |
CHEMBL3194 | P02766 | Transthyretin | 80.54% | 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.
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PubChem | 6426860 |
LOTUS | LTS0043542 |
wikiData | Q104193255 |