(2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

• Internal ID: caf12a6a-f12d-42db-9d04-7f8243413491
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3aR,4S,6aR)-5-(hydroxymethyl)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C1COC2C1C(C(=C2)CO)COC3C(C(C(C(O3)CO)O)O)O
• SMILES (Isomeric): C1CO[C@@H]2[C@H]1[C@@H](C(=C2)CO)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• InChI: InChI=1S/C15H24O8/c16-4-7-3-10-8(1-2-21-10)9(7)6-22-15-14(20)13(19)12(18)11(5-17)23-15/h3,8-20H,1-2,4-6H2/t8-,9-,10+,11-,12-,13+,14-,15-/m1/s1
• InChI Key: VZHPMRPUEAULJB-REECGULKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₈
• Molecular Weight: 332.35 g/mol
• Exact Mass: 332.14711772 g/mol
• Topological Polar Surface Area (TPSA): 129.00 Ų
• XlogP: -2.60

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	96.89%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	96.10%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.49%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.43%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.62%	100.00%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.66%	95.83%
CHEMBL3589	P55263	Adenosine kinase	81.51%	98.05%

Plants that contains it

• Scrophularia ningpoensis

Cross-Links

• PubChem: 101625377
• LOTUS: LTS0079446
• wikiData: Q105299774