Hex(?1-4)Hex(?1-4)2,6-deoxy-Hex3Me

Details

• Internal ID: ca28ad09-6843-4372-8e72-eaed6ad920df
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: 2-[4,5-dihydroxy-6-(6-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C19H34O14/c1-6-16(7(28-2)3-10(22)29-6)32-19-15(27)13(25)17(9(5-21)31-19)33-18-14(26)12(24)11(23)8(4-20)30-18/h6-27H,3-5H2,1-2H3
• InChI Key: WKGLNLCRAYINND-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₄O₁₄
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.19485575 g/mol
• Topological Polar Surface Area (TPSA): 217.00 Ų
• XlogP: -4.30

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	95.28%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.84%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.99%	97.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.93%	85.14%
CHEMBL226	P30542	Adenosine A1 receptor	86.99%	95.93%
CHEMBL3589	P55263	Adenosine kinase	83.12%	98.05%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.31%	95.89%

Plants that contains it

• Leptadenia reticulata

Cross-Links

• PubChem: 163195781
• LOTUS: LTS0079869
• wikiData: Q105307317