Gal(a1-4)a-Ido

Details

• Internal ID: 9fda9817-4e09-48eb-8b97-ecfc6ad66e92
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
• IUPAC Name: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
• SMILES (Canonical): C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
• SMILES (Isomeric): C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
• InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4+,5+,6+,7-,8-,9-,10-,11-,12-/m1/s1
• InChI Key: GUBGYTABKSRVRQ-KEUNEUHJSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₂O₁₁
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.11621151 g/mol
• Topological Polar Surface Area (TPSA): 190.00 Ų
• XlogP: -4.70

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	91.52%	91.11%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	90.27%	83.57%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	89.41%	86.92%
CHEMBL226	P30542	Adenosine A1 receptor	89.28%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.32%	96.09%
CHEMBL3589	P55263	Adenosine kinase	85.21%	98.05%
CHEMBL218	P21554	Cannabinoid CB1 receptor	81.94%	96.61%

Plants that contains it

• Acorus calamus
• Amaranthus cruentus
• Arbutus unedo
• Atriplex prostrata
• Bolbostemma paniculatum
• Cannabis sativa
• Ceratonia siliqua
• Glycyrrhiza glabra
• Helianthus annuus
• Humulus lupulus
• Lantana camara
• Panax ginseng
• Panax quinquefolius
• Pseudostellaria heterophylla
• Tillandsia usneoides

Cross-Links

• PubChem: 131632347
• LOTUS: LTS0220516
• wikiData: Q104249380