6-(3,5-Dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl)-6-methoxyhexane-2,3,4-triol

Details

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Internal ID 65cafc29-4603-4daa-96ae-eb7e68a826be
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds
IUPAC Name 6-(3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl)-6-methoxyhexane-2,3,4-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H30O9/c1-7(16)11(18)9(17)6-10(21-3)15(20)8(2)24-14(23-5)12(19)13(15)22-4/h7-14,16-20H,6H2,1-5H3
InChI Key AIJURRQOFYUHCO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H30O9
Molecular Weight 354.39 g/mol
Exact Mass 354.18898253 g/mol
Topological Polar Surface Area (TPSA) 138.00 Ų
XlogP -2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-(3,5-Dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl)-6-methoxyhexane-2,3,4-triol

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.64% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.80% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.47% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.97% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.23% 91.11%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.38% 96.47%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 85.20% 97.14%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.48% 97.21%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.55% 91.07%
CHEMBL4208 P20618 Proteasome component C5 80.93% 90.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.69% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.24% 95.89%

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 162831146
LOTUS LTS0135842
wikiData Q103816149