Butyl alpha-d-fructofuranoside

Details

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Internal ID cd63c26f-5fae-4564-a824-ac04db15a7c6
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
IUPAC Name (2S,3S,4S,5R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILES (Canonical) CCCCOC1(C(C(C(O1)CO)O)O)CO
SMILES (Isomeric) CCCCO[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
InChI InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10+/m1/s1
InChI Key XRGRZXPJJVQDJO-IMSYWVGJSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C10H20O6
Molecular Weight 236.26 g/mol
Exact Mass 236.12598835 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP -0.50

Synonyms

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SCHEMBL11033700

2D Structure

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2D Structure of Butyl alpha-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 94.18% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.87% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 91.93% 95.93%
CHEMBL2581 P07339 Cathepsin D 90.29% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.18% 99.17%
CHEMBL2996 Q05655 Protein kinase C delta 87.98% 97.79%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.76% 97.25%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 84.88% 92.32%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 83.05% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 81.58% 92.08%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.18% 97.29%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.35% 95.89%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.24% 96.61%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.18% 95.50%

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.
Glehnia littoralis
Ophiopogon japonicus
Sparganium eurycarpum
Vochysia thyrsoidea

Cross-Links

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PubChem 13386214
LOTUS LTS0174896
wikiData Q104398859