Decyl hexopyranoside

Details

• Internal ID: 00726781-ddab-4419-ab4d-ac3f621da2c1
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: 2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O
• SMILES (Isomeric): CCCCCCCCCCOC1C(C(C(C(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
• InChI Key: JDRSMPFHFNXQRB-UHFFFAOYSA-N
• Popularity: 22 references in papers

Physical and Chemical Properties

• 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

• Decyl .alpha.-D-glucopyranoside
• Decyl hexopyranoside
• SCHEMBL22691938
• DTXSID80860442
• BCP34657
• FT-0624490

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

• Tanacetum vulgare

Cross-Links

• PubChem: 4523964
• LOTUS: LTS0241312
• wikiData: Q105125705