Xyl(b1-4)Xyl(b1-4)aldehydo-Ara

Details

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Internal ID 375ed035-f95f-44b2-88ba-0959d7a5eb7b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides
IUPAC Name (2R,3R,4S)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxypentanal
SMILES (Canonical) C1C(C(C(C(O1)OC2COC(C(C2O)O)OC(CO)C(C(C=O)O)O)O)O)O
SMILES (Isomeric) C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H](CO)[C@@H]([C@H](C=O)O)O)O)O)O
InChI InChI=1S/C15H26O13/c16-1-5(18)9(20)7(2-17)27-15-13(24)11(22)8(4-26-15)28-14-12(23)10(21)6(19)3-25-14/h1,5-15,17-24H,2-4H2/t5-,6+,7-,8+,9+,10-,11-,12+,13+,14-,15-/m0/s1
InChI Key ABKNGTPZXRUSOI-AEBBTMQNSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O13
Molecular Weight 414.36 g/mol
Exact Mass 414.13734088 g/mol
Topological Polar Surface Area (TPSA) 216.00 Ų
XlogP -5.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Xyl(b1-4)Xyl(b1-4)aldehydo-Ara

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 95.46% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.92% 96.09%
CHEMBL2581 P07339 Cathepsin D 85.56% 98.95%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 84.74% 91.24%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.26% 86.92%
CHEMBL2842 P42345 Serine/threonine-protein kinase mTOR 83.87% 92.78%
CHEMBL4246 P42680 Tyrosine-protein kinase TEC 82.68% 82.05%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 82.29% 98.75%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 81.96% 95.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.52% 99.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.51% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.13% 89.00%

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.
Cinnamomum verum

Cross-Links

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PubChem 162999275
LOTUS LTS0057486
wikiData Q104908658