2-(7-Hydroxy-6,8-dimethoxydibenzofuran-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Details

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Internal ID 9a6bfc5c-1685-456f-8124-c514cbc3ac4f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 2-(7-hydroxy-6,8-dimethoxydibenzofuran-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H22O10/c1-26-11-6-9-8-4-3-5-10(17(8)30-18(9)19(27-2)14(11)23)28-20-16(25)15(24)13(22)12(7-21)29-20/h3-6,12-13,15-16,20-25H,7H2,1-2H3
InChI Key RBAWAVDROAHWEW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H22O10
Molecular Weight 422.40 g/mol
Exact Mass 422.12129689 g/mol
Topological Polar Surface Area (TPSA) 151.00 Ų
XlogP 1.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(7-Hydroxy-6,8-dimethoxydibenzofuran-4-yl)oxy-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 99.53% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.77% 96.09%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.15% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.79% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.18% 95.56%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 91.52% 94.03%
CHEMBL2581 P07339 Cathepsin D 91.02% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.92% 96.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.24% 92.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.22% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.08% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.92% 85.14%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 87.14% 89.62%
CHEMBL2535 P11166 Glucose transporter 83.05% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.49% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.59% 92.94%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 80.12% 94.23%

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.
Pyracantha crenulata

Cross-Links

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PubChem 74338801
LOTUS LTS0071886
wikiData Q105233007