2-[2-[5-Hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: 6929bc93-5b78-4da7-8712-aa571801717d
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: 2-[2-[5-hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C1C(C(C(=C1CO)CO)CCOC2C(C(C(C(O2)CO)O)O)O)O
• SMILES (Isomeric): C1C(C(C(=C1CO)CO)CCOC2C(C(C(C(O2)CO)O)O)O)O
• InChI: InChI=1S/C15H26O9/c16-4-7-3-10(19)8(9(7)5-17)1-2-23-15-14(22)13(21)12(20)11(6-18)24-15/h8,10-22H,1-6H2
• InChI Key: VYACBHCRZHLZIT-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₉
• Molecular Weight: 350.36 g/mol
• Exact Mass: 350.15768240 g/mol
• Topological Polar Surface Area (TPSA): 160.00 Ų
• XlogP: -4.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.10%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.19%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	89.83%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.66%	97.09%
CHEMBL1977	P11473	Vitamin D receptor	82.74%	99.43%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	82.53%	96.21%
CHEMBL3589	P55263	Adenosine kinase	82.38%	98.05%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.33%	95.50%
CHEMBL2581	P07339	Cathepsin D	80.31%	98.95%

Plants that contains it

• Eucommia ulmoides

Cross-Links

• PubChem: 74029697
• LOTUS: LTS0080264
• wikiData: Q105298858