Benzyl O-[arabinofuranosyl-(1->6)-glucoside]

Details

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Internal ID c8f1a1b5-c53b-40e4-81e9-783ad9ed6138
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
IUPAC Name 2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H26O10/c19-6-10-12(20)15(23)17(27-10)26-8-11-13(21)14(22)16(24)18(28-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2
InChI Key VLAZYPZGDJXPDY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H26O10
Molecular Weight 402.40 g/mol
Exact Mass 402.15259702 g/mol
Topological Polar Surface Area (TPSA) 158.00 Ų
XlogP -2.20

Synonyms

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CHEBI:171790
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triol

2D Structure

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2D Structure of Benzyl O-[arabinofuranosyl-(1->6)-glucoside]

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.14% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.32% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.63% 98.95%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 89.02% 94.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.14% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 87.93% 94.73%
CHEMBL221 P23219 Cyclooxygenase-1 87.13% 90.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.97% 86.33%
CHEMBL3891 P07384 Calpain 1 82.56% 93.04%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.89% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.59% 95.56%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 80.85% 94.23%
CHEMBL226 P30542 Adenosine A1 receptor 80.69% 95.93%

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.
Rhodiola rosea

Cross-Links

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PubChem 14682805
LOTUS LTS0198260
wikiData Q105288240