Decyl alpha-D-glucopyranoside

Details

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Internal ID 4d6dee76-5e23-457b-bfa3-ce5f48b6f977
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name (2S,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
SMILES (Isomeric) CCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16+/m1/s1
InChI Key JDRSMPFHFNXQRB-LJIZCISZSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C16H32O6
Molecular Weight 320.42 g/mol
Exact Mass 320.21988874 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP 2.40

Synonyms

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29781-81-5
n-decyl a-d-glucopyranoside
47YY6O286H
(2S,3R,4S,5S,6R)-2-(Decyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Decyl .alpha.-D-glucopyranoside
EINECS 249-846-4
starbld0009816
Decyl glucoside, alpha-
SCHEMBL60376
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Decyl alpha-D-glucopyranoside

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 95.01% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.51% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.19% 97.29%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.54% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.64% 91.11%
CHEMBL2581 P07339 Cathepsin D 89.33% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.66% 97.25%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 88.26% 92.86%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 87.88% 90.24%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 87.38% 80.33%
CHEMBL2885 P07451 Carbonic anhydrase III 86.25% 87.45%
CHEMBL3401 O75469 Pregnane X receptor 85.34% 94.73%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 83.62% 85.94%
CHEMBL1977 P11473 Vitamin D receptor 82.48% 99.43%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.06% 91.81%
CHEMBL5255 O00206 Toll-like receptor 4 80.95% 92.50%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.66% 100.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.33% 96.00%

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.
Prismatomeris fragrans
Tanacetum vulgare

Cross-Links

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PubChem 11088502
LOTUS LTS0074856
wikiData Q105237261