2-o-Methylgalactose

Details

• Internal ID: 61f9ec0a-1fe1-4cb7-a4bd-6f64daf909d9
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: (2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal
• SMILES (Canonical): COC(C=O)C(C(C(CO)O)O)O
• SMILES (Isomeric): CO[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O
• InChI: InChI=1S/C7H14O6/c1-13-5(3-9)7(12)6(11)4(10)2-8/h3-8,10-12H,2H2,1H3/t4-,5+,6+,7-/m1/s1
• InChI Key: QRAXLHLYZJCAKB-JRTVQGFMSA-N
• Popularity: 14 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₄O₆
• Molecular Weight: 194.18 g/mol
• Exact Mass: 194.07903816 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: -2.90

Synonyms

• 2-o-methyl-d-galactose
• D-Galactose, 2-O-methyl-
• UNII-727U1X4N76
• 4060-33-7
• 727U1X4N76
• SCHEMBL1369560
• Q27266041

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.55%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.03%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	84.79%	97.29%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.63%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.20%	85.14%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.14%	86.92%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.38%	95.56%

Plants that contains it

• Medicago sativa

Cross-Links

• PubChem: 21117001
• LOTUS: LTS0019569
• wikiData: Q27266041