3S,8S-dihydroxydec-9-ene-4,6-diyne 1-O-beta-D-glucopyranoside

Details

• Internal ID: 31fe84e6-17a6-4edc-a926-5a9418053f1a
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(3S,8S)-3,8-dihydroxydec-9-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C16H22O8/c1-2-10(18)5-3-4-6-11(19)7-8-23-16-15(22)14(21)13(20)12(9-17)24-16/h2,10-22H,1,7-9H2/t10-,11+,12+,13+,14-,15+,16+/m0/s1
• InChI Key: MWOLLPDIFAGNPI-VLUPQUSQSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₂O₈
• Molecular Weight: 342.34 g/mol
• Exact Mass: 342.13146766 g/mol
• Topological Polar Surface Area (TPSA): 140.00 Ų
• XlogP: -1.70

Synonyms

There are no found synonyms.

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.90%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	94.79%	96.61%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.54%	99.17%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	88.79%	97.34%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.63%	96.09%
CHEMBL3589	P55263	Adenosine kinase	85.79%	98.05%
CHEMBL3401	O75469	Pregnane X receptor	84.77%	94.73%
CHEMBL2581	P07339	Cathepsin D	84.23%	98.95%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	83.60%	89.67%
CHEMBL1977	P11473	Vitamin D receptor	81.22%	99.43%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.69%	86.92%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.23%	96.00%

Plants that contains it

• Artemisia monosperma

Cross-Links

• PubChem: 162982172
• LOTUS: LTS0219491
• wikiData: Q105173695