D-Glucose, 6-O-alpha-D-galactopyranosyl-

Details

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Internal ID cb495282-ae47-4b8c-8502-1a6da7f36d59
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
SMILES (Canonical) C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
SMILES (Isomeric) C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
InChI InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2
InChI Key AYRXSINWFIIFAE-UHFFFAOYSA-N
Popularity 24 references in papers

Physical and Chemical Properties

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Molecular Formula C12H22O11
Molecular Weight 342.30 g/mol
Exact Mass 342.11621151 g/mol
Topological Polar Surface Area (TPSA) 197.00 Ų
XlogP -5.00

Synonyms

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NSC2028
Mellibiose
5077-31-6
NSC-2028
d(+)-melibiose
D-Glucose, 6-O-alpha-D-glucopyranosyl-
D-Glucose, 6-O-.alpha.-D-galactopyranosyl-
SCHEMBL38975
DTXSID40277375
6alpha-Mannobiose, >=85% (HPAE)
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of D-Glucose, 6-O-alpha-D-galactopyranosyl-

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 92.51% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.86% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 87.57% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.15% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.09% 89.34%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.61% 97.29%
CHEMBL2581 P07339 Cathepsin D 82.70% 98.95%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.26% 86.92%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.60% 96.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Larix laricina

Cross-Links

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PubChem 219994
LOTUS LTS0230878
wikiData Q82008482