quercetin 7-O-alpha-D-rhamnopyranoside

Details

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Internal ID dfad59c2-8690-41f2-8baf-d1536703602f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2R,3S,4S,5S,6R)-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) C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](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/t7-,15-,17+,19+,21-/m1/s1
InChI Key QPHXPNUXTNHJOF-GWCYCZLUSA-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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CHEBI:75888
Q27145625
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-D-mannopyranoside

2D Structure

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2D Structure of quercetin 7-O-alpha-D-rhamnopyranoside

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.
Incarvillea mairei

Cross-Links

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PubChem 72193676
LOTUS LTS0080172
wikiData Q27145625