2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Internal ID | dacdb245-b0f1-45bf-88a6-96a4374b49f3 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid C-glycosides > Flavonoid 8-C-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6S)-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)O)C4C(C(C(C(O4)CO)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O |
InChI | InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17+,18-,19+,21-/m0/s1 |
InChI Key | PLAPMLGJVGLZOV-TZYVJGCXSA-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) | 197.00 Ų |
XlogP | -0.20 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.43% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.30% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.07% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.37% | 99.15% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.04% | 91.49% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.22% | 94.00% |
CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 88.99% | 91.73% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.87% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.50% | 95.56% |
CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 87.50% | 89.23% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.04% | 86.92% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.76% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.79% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.61% | 96.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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PubChem | 154497137 |
LOTUS | LTS0058477 |
wikiData | Q105210789 |