Quercetin 7-rhamnoside

Details

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Internal ID b33bda90-4dfd-4171-9104-f1892db6ff66
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
SMILES (Canonical) CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O
SMILES (Isomeric) CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)O)O)O)O
InChI InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3
InChI Key QPHXPNUXTNHJOF-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H20O11
Molecular Weight 448.40 g/mol
Exact Mass 448.10056145 g/mol
Topological Polar Surface Area (TPSA) 186.00 Ų
XlogP 0.90

Synonyms

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FT-0686691

2D Structure

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2D Structure of Quercetin 7-rhamnoside

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
CHEMBL1951 P21397 Monoamine oxidase A 99.88% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.57% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 97.75% 89.00%
CHEMBL2581 P07339 Cathepsin D 96.56% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.64% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.61% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.49% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 92.84% 94.73%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 91.40% 95.64%
CHEMBL3714130 P46095 G-protein coupled receptor 6 90.77% 97.36%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 89.22% 90.71%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 87.55% 95.78%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.37% 95.56%
CHEMBL3194 P02766 Transthyretin 87.11% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.19% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.95% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.66% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.42% 99.17%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.45% 93.65%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.11% 97.09%
CHEMBL4208 P20618 Proteasome component C5 80.84% 90.00%

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.
Arabidopsis thaliana
Chengiopanax sciadophylloides
Eriocapitella tomentosa
Hypericum japonicum
Incarvillea mairei
Rorippa indica
Veratrum dahuricum

Cross-Links

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PubChem 14130919
LOTUS LTS0052437
wikiData Q105225398