Taxifolin 3-O-bata-xylopyranoside

Details

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Internal ID 5bec0cab-2907-416b-a7f4-ee42b0ec6a5b
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3-dihydrochromen-4-one
SMILES (Canonical) C1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
SMILES (Isomeric) C1C(C(C(C(O1)OC2C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O
InChI InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2
InChI Key UKSPRKDZNYSFRL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O11
Molecular Weight 436.40 g/mol
Exact Mass 436.10056145 g/mol
Topological Polar Surface Area (TPSA) 186.00 Ų
XlogP 0.00

Synonyms

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Compound NP-016838
AKOS040738564
NCGC00169531-01

2D Structure

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2D Structure of Taxifolin 3-O-bata-xylopyranoside

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 99.69% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 98.44% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.91% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.66% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.52% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.91% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.91% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.45% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.42% 98.95%
CHEMBL2535 P11166 Glucose transporter 86.64% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.27% 94.45%
CHEMBL4208 P20618 Proteasome component C5 84.62% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.51% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.98% 86.33%
CHEMBL3194 P02766 Transthyretin 81.72% 90.71%

Plants that contains it

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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.
Crataegus sinaica
Eucryphia glutinosa
Fagus sylvatica
Hibiscus mutabilis
Pyrola elliptica
Rhododendron spinuliferum
Rosa canina
Thujopsis dolabrata

Cross-Links

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PubChem 24868443
LOTUS LTS0263742
wikiData Q105274880