Fruf(b2-5)b-D-Sor

Details

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Internal ID cdfce155-5454-4d2a-9dda-e0d4c054bcaf
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
IUPAC Name (2R,3R,4R,5R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-2,3,4-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H22O11/c13-1-5-7(16)10(19)12(4-15,22-5)23-6-2-21-11(20,3-14)9(18)8(6)17/h5-10,13-20H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChI Key DHVHRMKJUUCPHX-KTDUUTKOSA-N
Popularity 2 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) 190.00 Ų
XlogP -3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Fruf(b2-5)b-D-Sor

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 97.68% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.88% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.51% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.59% 97.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.37% 85.14%
CHEMBL2072 P35499 Sodium channel protein type IV alpha subunit 84.07% 92.32%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.79% 95.89%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.35% 95.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.85% 94.45%
CHEMBL218 P21554 Cannabinoid CB1 receptor 82.31% 96.61%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 80.75% 95.83%
CHEMBL221 P23219 Cyclooxygenase-1 80.72% 90.17%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.26% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.06% 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.
Banisteriopsis caapi

Cross-Links

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PubChem 162919607
LOTUS LTS0055072
wikiData Q104980885