Methylbeta-D-fructofuranoside

Details

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Internal ID 6bb620e6-64b3-47f0-a4cc-561658b91ba2
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
IUPAC Name 2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol
SMILES (Canonical) COC1(C(C(C(O1)CO)O)O)CO
SMILES (Isomeric) COC1(C(C(C(O1)CO)O)O)CO
InChI InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3
InChI Key JPHVNZOOBXUCDJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C7H14O6
Molecular Weight 194.18 g/mol
Exact Mass 194.07903816 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP -1.60

Synonyms

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AKOS032948469

2D Structure

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2D Structure of Methylbeta-D-fructofuranoside

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 95.04% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.15% 91.11%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 87.31% 86.92%
CHEMBL226 P30542 Adenosine A1 receptor 85.79% 95.93%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.33% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.13% 94.00%

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.
Artemisia monosperma
Brachystemma calycinum
Morinda citrifolia
Turnera diffusa
Vaccinium myrtillus

Cross-Links

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PubChem 14055124
LOTUS LTS0088366
wikiData Q105132758