2-[3-(4-Hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Details

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Internal ID 17579398-be93-4f68-aca5-3d53b0728c52
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name 2-[3-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H24O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3
InChI Key SWDZHHGZCMGPOV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H24O8
Molecular Weight 344.36 g/mol
Exact Mass 344.14711772 g/mol
Topological Polar Surface Area (TPSA) 129.00 Ų
XlogP -0.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[3-(4-Hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.09% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.88% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.75% 99.17%
CHEMBL2581 P07339 Cathepsin D 93.37% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.38% 86.33%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 88.51% 86.92%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.23% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.04% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.32% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 85.68% 94.73%
CHEMBL3194 P02766 Transthyretin 85.28% 90.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.23% 95.89%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.44% 96.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.25% 92.94%

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.
Juniperus communis var. depressa

Cross-Links

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PubChem 78411242
LOTUS LTS0130938
wikiData Q105262595