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Details

• Internal ID: eb65b43c-87f7-490f-8591-966833423fb3
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: 2-[6-[6-[4,5-dihydroxy-6-(4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
• SMILES (Canonical): C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4COC(C(C4O)O)OC5COC(C(C5O)O)O)O)O)O
• SMILES (Isomeric): C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4COC(C(C4O)O)OC5COC(C(C5O)O)O)O)O)O
• InChI: InChI=1S/C25H42O21/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2
• InChI Key: LFFQNKFIEIYIKL-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₂O₂₁
• Molecular Weight: 678.60 g/mol
• Exact Mass: 678.22185834 g/mol
• Topological Polar Surface Area (TPSA): 326.00 Ų
• XlogP: -8.60

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	92.92%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	86.69%	91.49%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	81.08%	96.77%
CHEMBL3589	P55263	Adenosine kinase	80.55%	98.05%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.53%	97.09%

Plants that contains it

• Saccharum officinarum

Cross-Links

• PubChem: 13872870
• LOTUS: LTS0273967
• wikiData: Q105150995