2-[2-(3,5-Dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: 25bf41a1-2525-4e97-8551-66c4826d57f3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 2-[2-(3,5-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• InChI: InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-2-1-7-3-8(16)5-9(17)4-7/h3-5,10-20H,1-2,6H2
• InChI Key: VMJSQSHKQAWVBB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₀O₈
• Molecular Weight: 316.30 g/mol
• Exact Mass: 316.11581759 g/mol
• Topological Polar Surface Area (TPSA): 140.00 Ų
• XlogP: -0.80

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	97.68%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.46%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.61%	99.17%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.44%	86.92%
CHEMBL3401	O75469	Pregnane X receptor	89.01%	94.73%
CHEMBL2581	P07339	Cathepsin D	86.77%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.92%	86.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.34%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.74%	94.00%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	82.24%	94.62%
CHEMBL3194	P02766	Transthyretin	82.13%	90.71%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.38%	97.09%

Plants that contains it

• Veronica thymoides

Cross-Links

• PubChem: 162888669
• LOTUS: LTS0220016
• wikiData: Q105289018