Eriodictyol 7-(6-galloylglucoside)

Details

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Internal ID d10399af-09ee-4be4-87b1-8d9894a5a9a1
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides
IUPAC Name [6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
SMILES (Canonical) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O
SMILES (Isomeric) C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)C5=CC(=C(C=C5)O)O
InChI InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2
InChI Key SHPCBRSOJXQRDY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C28H26O15
Molecular Weight 602.50 g/mol
Exact Mass 602.12717012 g/mol
Topological Polar Surface Area (TPSA) 253.00 Ų
XlogP 0.80

Synonyms

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CHEBI:176251
[6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

2D Structure

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2D Structure of Eriodictyol 7-(6-galloylglucoside)

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 99.77% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.45% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.42% 96.09%
CHEMBL3475 P05121 Plasminogen activator inhibitor-1 93.71% 83.00%
CHEMBL4208 P20618 Proteasome component C5 91.49% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.37% 89.00%
CHEMBL3194 P02766 Transthyretin 90.73% 90.71%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 90.28% 95.64%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.25% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.07% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.84% 95.89%
CHEMBL1951 P21397 Monoamine oxidase A 89.49% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.31% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.88% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.50% 99.17%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.97% 94.80%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.67% 99.23%
CHEMBL5255 O00206 Toll-like receptor 4 87.09% 92.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.98% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 86.69% 94.73%
CHEMBL2581 P07339 Cathepsin D 85.01% 98.95%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 84.50% 95.78%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.42% 94.00%

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.
Balanophora harlandii
Phyllanthus emblica

Cross-Links

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PubChem 74819398
LOTUS LTS0104725
wikiData Q105253109