2-(1,2-Dihydroxyethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Details

• Internal ID: df7a676e-f1e1-4313-bf83-8835963105b2
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• IUPAC Name: 2-(1,2-dihydroxyethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• InChI: InChI=1S/C8H16O8/c9-1-3-5(12)6(13)7(14)8(15,16-3)4(11)2-10/h3-7,9-15H,1-2H2
• InChI Key: QVTGRTRPQZINRF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₆O₈
• Molecular Weight: 240.21 g/mol
• Exact Mass: 240.08451746 g/mol
• Topological Polar Surface Area (TPSA): 151.00 Ų
• XlogP: -3.00

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
CHEMBL4040	P28482	MAP kinase ERK2	93.78%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.58%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.19%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	88.49%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	86.54%	95.93%
CHEMBL221	P23219	Cyclooxygenase-1	85.87%	90.17%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.74%	96.61%
CHEMBL2581	P07339	Cathepsin D	81.66%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.45%	97.09%

Plants that contains it

• Laurus nobilis

Cross-Links

• PubChem: 162870232
• LOTUS: LTS0074799
• wikiData: Q105228901