(1S,2S,3S,4S)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentane-1,2,3,4,5-pentol

Details

• Internal ID: c11b139a-f74c-4204-9438-1fc951d3c6a1
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
• IUPAC Name: (1S,2S,3S,4S)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentane-1,2,3,4,5-pentol
• SMILES (Canonical): C(C1C(C(C(C(O1)C(C(C(C(CO)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C11H22O10/c12-1-3(14)5(15)7(17)9(19)11-10(20)8(18)6(16)4(2-13)21-11/h3-20H,1-2H2/t3-,4+,5-,6+,7-,8-,9-,10+,11-/m0/s1
• InChI Key: FEVHTCAHSRXKCX-JHMRLJLESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₂O₁₀
• Molecular Weight: 314.29 g/mol
• Exact Mass: 314.12129689 g/mol
• Topological Polar Surface Area (TPSA): 191.00 Ų
• XlogP: -4.60

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
CHEMBL3589	P55263	Adenosine kinase	91.97%	98.05%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.05%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.87%	96.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.20%	86.92%
CHEMBL2094135	Q96BI3	Gamma-secretase	83.72%	98.05%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.04%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	80.46%	94.73%

Plants that contains it

• Diospyros nigra

Cross-Links

• PubChem: 162856424
• LOTUS: LTS0098936
• wikiData: Q104994219