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Oleuroside

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 31653492-63b5-4d7e-a9f7-d7917895e27f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name methyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ethenyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
SMILES (Canonical) COC(=O)C1=COC(C(C1CC(=O)OCCC2=CC(=C(C=C2)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O
SMILES (Isomeric) COC(=O)C1=COC(C(C1CC(=O)OCCC2=CC(=C(C=C2)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O
InChI InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3
InChI Key WWKVQWHAWPZZDB-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C25H32O13
Molecular Weight 540.50 g/mol
Exact Mass 540.18429107 g/mol
Topological Polar Surface Area (TPSA) 202.00 Ų
XlogP 0.00

Synonyms

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CHEBI:168518

2D Structure

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2D Structure of Oleuroside

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 99.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.16% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 96.78% 91.49%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 92.69% 86.92%
CHEMBL3401 O75469 Pregnane X receptor 91.81% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.54% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.34% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.45% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.64% 90.71%
CHEMBL2581 P07339 Cathepsin D 86.68% 98.95%
CHEMBL4208 P20618 Proteasome component C5 86.50% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.48% 95.89%
CHEMBL3437 Q16853 Amine oxidase, copper containing 84.51% 94.00%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 84.23% 91.24%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.98% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.39% 96.00%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 81.93% 96.90%
CHEMBL340 P08684 Cytochrome P450 3A4 80.98% 91.19%

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.
Olea europaea

Cross-Links

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PubChem 14136851
LOTUS LTS0131115
wikiData Q105314123