1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside

Details

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Internal ID c0755fcf-f477-487f-af8f-98f4aba951fd
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 2-[5-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical) COC1=C(C=C(C=C1)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O
SMILES (Isomeric) COC1=C(C=C(C=C1)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI InChI=1S/C15H22O9/c1-22-9-3-2-7(8(18)5-16)4-10(9)23-15-14(21)13(20)12(19)11(6-17)24-15/h2-4,8,11-21H,5-6H2,1H3
InChI Key CEAVUNYMFVXZKB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O9
Molecular Weight 346.33 g/mol
Exact Mass 346.12638228 g/mol
Topological Polar Surface Area (TPSA) 149.00 Ų
XlogP -2.60

Synonyms

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CHEBI:168852
2-[5-(1,2-DIHYDROXYETHYL)-2-METHOXYPHENOXY]-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL

2D Structure

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2D Structure of 1-(3-Hydroxy-4-Methoxyphenyl)-1,2-ethanediol 3'-O-b-D-glucoside

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.68% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.31% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.34% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.49% 96.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.97% 89.62%
CHEMBL2581 P07339 Cathepsin D 89.39% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.16% 99.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 85.44% 95.89%
CHEMBL4208 P20618 Proteasome component C5 85.28% 90.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.05% 86.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.60% 95.89%
CHEMBL3401 O75469 Pregnane X receptor 83.56% 94.73%
CHEMBL1255126 O15151 Protein Mdm4 83.51% 90.20%

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.
Foeniculum vulgare
Iodes cirrhosa

Cross-Links

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PubChem 85207142
LOTUS LTS0077105
wikiData Q104955385