alpha-D-Fructofuranoside, ethyl

Details

• Internal ID: cb69b3b5-95a2-495f-8642-bcdaab3fba48
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• IUPAC Name: 2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
• SMILES (Canonical): CCOC1(C(C(C(O1)CO)O)O)CO
• SMILES (Isomeric): CCOC1(C(C(C(O1)CO)O)O)CO
• InChI: InChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3
• InChI Key: KQQFKZUGBOQKLW-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₆O₆
• Molecular Weight: 208.21 g/mol
• Exact Mass: 208.09468823 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: -1.20

Synonyms

• thyl beta-D-fructofuranoside
• AKOS032948741

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	95.06%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	90.04%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.83%	91.11%
CHEMBL218	P21554	Cannabinoid CB1 receptor	84.07%	96.61%
CHEMBL221	P23219	Cyclooxygenase-1	82.50%	90.17%
CHEMBL2581	P07339	Cathepsin D	81.89%	98.95%
CHEMBL2996	Q05655	Protein kinase C delta	81.69%	97.79%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.64%	94.00%

Plants that contains it

• Brachystemma calycinum
• Clerodendrum mandarinorum
• Dryopteris cycadina

Cross-Links

• PubChem: 14057170
• LOTUS: LTS0095622
• wikiData: Q105249196