2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(3-methylbut-3-enoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

Details

• Internal ID: 0e63c7ac-7ac2-4974-aa84-d12518cebcc2
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
• IUPAC Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(3-methylbut-3-enoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
• InChI: InChI=1S/C17H30O11/c1-7(2)3-4-25-16-14(23)13(22)11(20)9(28-16)6-26-17-15(24)12(21)10(19)8(5-18)27-17/h8-24H,1,3-6H2,2H3
• InChI Key: KNJRIEFLSCUKAY-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₃₀O₁₁
• Molecular Weight: 410.40 g/mol
• Exact Mass: 410.17881177 g/mol
• Topological Polar Surface Area (TPSA): 179.00 Ų
• XlogP: -2.50

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.50%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.54%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	90.96%	83.82%
CHEMBL3401	O75469	Pregnane X receptor	86.82%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.08%	99.17%
CHEMBL2581	P07339	Cathepsin D	82.31%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.10%	97.25%

Plants that contains it

• Morinda citrifolia

Cross-Links

• PubChem: 77756355
• LOTUS: LTS0133381
• wikiData: Q105143441