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Telephenone B

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 173afff1-e216-4c2a-9024-fddde9ed52bc
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (3,4-dimethoxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H24O11/c1-30-11-4-3-8(5-12(11)31-2)16(25)14-9(23)6-10(24)15(18(14)27)21-20(29)19(28)17(26)13(7-22)32-21/h3-6,13,17,19-24,26-29H,7H2,1-2H3/t13-,17-,19+,20-,21+/m1/s1
InChI Key DOSNLWKBDZEVFE-RDZBXBSQSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H24O11
Molecular Weight 452.40 g/mol
Exact Mass 452.13186158 g/mol
Topological Polar Surface Area (TPSA) 186.00 Ų
XlogP 0.20

Synonyms

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(3,4-dimethoxyphenyl)-(2,4,6-trihydroxy-3-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)phenyl)methanone
(3,4-dimethoxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone
RefChem:187751
3'-C-beta-D-Glucopyranosyl-2',4',6'-trihydroxy-3,4-dimethoxybenzophenone

2D Structure

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2D Structure of Telephenone B

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 96.68% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.47% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.16% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.94% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.57% 96.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.49% 92.94%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.44% 94.00%
CHEMBL4208 P20618 Proteasome component C5 86.84% 90.00%
CHEMBL1255126 O15151 Protein Mdm4 86.76% 90.20%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.73% 89.00%
CHEMBL4040 P28482 MAP kinase ERK2 86.14% 83.82%
CHEMBL3401 O75469 Pregnane X receptor 83.91% 94.73%
CHEMBL2581 P07339 Cathepsin D 83.39% 98.95%
CHEMBL3194 P02766 Transthyretin 82.42% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.71% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.01% 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 10742268
LOTUS LTS0121186
wikiData Q104986170