Octyl glucoside

Details

• Internal ID: 4b7454a1-aa2f-423c-9160-2da418050957
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
• SMILES (Canonical): CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
• SMILES (Isomeric): CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
• InChI: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
• InChI Key: HEGSGKPQLMEBJL-UHFFFAOYSA-N
• Popularity: 622 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₈O₆
• Molecular Weight: 292.37 g/mol
• Exact Mass: 292.18858861 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: 1.40

Synonyms

• n-Octylglucoside
• n-Octyl-beta-D-glucopyranoside
• n-Octyl-beta-D-glucopyranoside;OG;OGP
• 4742-80-7
• OCTYL-D-GLUCOPYRANOSIDE
• 2-[4-[Acetyl[[2-(acetylamino)-3,4-dihydro-4-oxo-6-pteridinyl]methyl]amino]phenyl]-4,5-dihydro-5-oxo-4-oxazolepropanoic Acid
• Octyl .beta.-D-glucopyranoside
• MFCD00063288
• 78168-20-4
• Octyl hexopyranoside
• 2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
• SCHEMBL12207622
• DTXSID20860441
• DTXSID50338305
• HEGSGKPQLMEBJL-UHFFFAOYSA-N
• n-Octyl .beta.-D-glucopyranoside
• AMY41575
• AKOS024386326
• SB46571
• LS-14359
• Octyl-|A-D-glucopyranoside research grade
• SY074759
• FT-0608192
• FT-0640257
• FT-0673234
• FT-0673237
• FT-0696880
• FT-0772088
• FT-0773351
• FT-0773536
• Hyaluronic acid sodium salt from Streptococcus equi

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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

• Rhodiola rosea

Cross-Links

• PubChem: 548230
• LOTUS: LTS0054364
• wikiData: Q82106604