Gal(b1-4)Glc(a1-2a)D-Sorf

Details

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Internal ID cea25081-427c-42ee-a5c3-c4e981603252
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-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)O)O
SMILES (Isomeric) C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@]3([C@@H]([C@H]([C@H](O3)CO)O)O)CO)CO)O)O)O)O
InChI InChI=1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
InChI Key FVVCFHXLWDDRHG-IZCWNMCRSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H32O16
Molecular Weight 504.40 g/mol
Exact Mass 504.16903493 g/mol
Topological Polar Surface Area (TPSA) 269.00 Ų
XlogP -5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Gal(b1-4)Glc(a1-2a)D-Sorf

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 96.44% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 87.71% 95.93%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 87.61% 86.92%
CHEMBL218 P21554 Cannabinoid CB1 receptor 85.46% 96.61%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.30% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 84.60% 94.73%
CHEMBL2094128 P24941 Cyclin-dependent kinase 2/cyclin A 84.21% 97.25%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 83.35% 95.83%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.46% 94.00%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.11% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162890484
LOTUS LTS0074937
wikiData Q105002797