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Mediose

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 13c5eeb9-3bf9-4a23-a711-721a02d70158
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
SMILES (Isomeric) C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O
InChI InChI=1S/C24H42O21/c25-1-6-10(29)13(32)16(35)21(40-6)39-4-9-19(43-22-17(36)14(33)11(30)7(2-26)41-22)15(34)18(37)23(42-9)45-24(5-28)20(38)12(31)8(3-27)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+/m1/s1
InChI Key BVEAURKQZJUQEC-DBZDMAJNSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C24H42O21
Molecular Weight 666.60 g/mol
Exact Mass 666.22185834 g/mol
Topological Polar Surface Area (TPSA) 348.00 Ų
XlogP -7.40

Synonyms

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Gal-alpha(1->6)-[Gal-alpha(1->4)]Glc-alpha(1->2)beta-Fru

2D Structure

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2D Structure of Mediose

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 96.76% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 91.68% 95.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 88.95% 86.92%
CHEMBL2094128 P24941 Cyclin-dependent kinase 2/cyclin A 88.91% 97.25%
CHEMBL218 P21554 Cannabinoid CB1 receptor 87.81% 96.61%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.23% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 85.14% 94.73%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 84.55% 95.83%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 84.35% 95.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.53% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.75% 97.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.35% 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.
Stellaria media

Cross-Links

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PubChem 90657470
LOTUS LTS0152494
wikiData Q76804253