Zingerone glucoside

Details

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Internal ID 50842515-c143-47a4-b5d1-882251b6ba44
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 4-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
SMILES (Canonical) CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
SMILES (Isomeric) CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3
InChI Key GXSGZLLXMDVQAS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H24O8
Molecular Weight 356.40 g/mol
Exact Mass 356.14711772 g/mol
Topological Polar Surface Area (TPSA) 126.00 Ų
XlogP -1.10

Synonyms

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CHEBI:175579
4-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one

2D Structure

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2D Structure of Zingerone glucoside

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.71% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.37% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.26% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.29% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.44% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 88.71% 86.92%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.76% 85.14%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.22% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.13% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.11% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 85.20% 94.73%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.98% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.73% 95.89%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.93% 95.50%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.91% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.25% 89.00%
CHEMBL2535 P11166 Glucose transporter 80.79% 98.75%

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.
Baccharis dracunculifolia
Pinus contorta
Pinus sylvestris
Rhododendron latoucheae
Schisandra chinensis
Staphylea bumalda
Veronica bellidioides

Cross-Links

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PubChem 74937233
LOTUS LTS0215400
wikiData Q105023349