Lychnose

Details

• Internal ID: ce36cd96-2fda-48f3-bc33-b47cbaab0fdd
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-4-9-12(30)16(34)19(37)23(43-9)45-24(20(38)13(31)8(3-27)44-24)5-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1
• InChI Key: BNOGJEJAYILSFT-XNSRJBNMSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₄₂O₂₁
• Molecular Weight: 666.60 g/mol
• Exact Mass: 666.22185834 g/mol
• Topological Polar Surface Area (TPSA): 348.00 Ų
• XlogP: -8.00

Synonyms

• 1F-alpha-D-Galactosylraffinose
• 1(F)-alpha-D-galactosylraffinose
• C08242
• 512-65-2
• CHEBI:27603
• DTXSID40965467
• Q27103221
• Hexopyranosyl-(1->1)hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside
• alpha-D-Gal-(1->6)-alpha-D-Glc-(1->2)-beta-D-Fru-(1↔1)-alpha-D-Gal
• (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• alpha-D-galactopyranosyl-(1->1)-beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside

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	96.70%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.61%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	89.98%	95.93%
CHEMBL218	P21554	Cannabinoid CB1 receptor	88.16%	96.61%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.14%	86.92%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.90%	97.09%
CHEMBL2094128	P24941	Cyclin-dependent kinase 2/cyclin A	82.73%	97.25%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	82.50%	95.50%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	82.16%	95.83%
CHEMBL3401	O75469	Pregnane X receptor	82.05%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.66%	94.00%

Plants that contains it

• Cerastium arvense
• Stellaria media

Cross-Links

• PubChem: 25079986
• LOTUS: LTS0178798
• wikiData: Q27103221