(2R,3R,4S,5S,6R)-2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: 9043135d-fee6-420a-8b0a-2aca48bcf05b
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5S,6R)-2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C1=COC=C1COC2C(C(C(C(O2)CO)O)O)O
• SMILES (Isomeric): C1=COC=C1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• InChI: InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2/t7-,8-,9+,10-,11-/m1/s1
• InChI Key: SPFOGLIFWSAONR-KAMPLNKDSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₆O₇
• Molecular Weight: 260.24 g/mol
• Exact Mass: 260.08960285 g/mol
• Topological Polar Surface Area (TPSA): 113.00 Ų
• XlogP: -1.60

Synonyms

• 3-Furfuryl-beta-glucoside
• 86425-28-7
• (2R,3R,4S,5S,6R)-2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• (Furan-3-yl)methyl hexopyranoside
• DTXSID201006825

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	94.58%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.33%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.63%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.28%	97.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.26%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	83.94%	94.73%
CHEMBL2581	P07339	Cathepsin D	82.31%	98.95%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.23%	94.00%
CHEMBL226	P30542	Adenosine A1 receptor	80.72%	95.93%

Plants that contains it

• Vigna angularis

Cross-Links

• PubChem: 3086224
• LOTUS: LTS0122933
• wikiData: Q83002656