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(+)-oxanthromicin E

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 f5347596-3593-4582-b730-2737bedb826f
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 1-hydroxy-2,8,10,10-tetramethyl-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H28O8/c1-10-5-6-13-17(18(10)26)20(28)16-11(2)7-12(8-14(16)24(13,3)4)31-23-22(30)21(29)19(27)15(9-25)32-23/h5-8,15,19,21-23,25-27,29-30H,9H2,1-4H3/t15-,19+,21+,22-,23+/m1/s1
InChI Key MKUVTEGBXCAVFG-ACYMDBPDSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C24H28O8
Molecular Weight 444.50 g/mol
Exact Mass 444.17841785 g/mol
Topological Polar Surface Area (TPSA) 137.00 Ų
XlogP 3.00

Synonyms

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1-hydroxy-2,8,10,10-tetramethyl-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-9-one
1-hydroxy-2,8,10,10-tetramethyl-6-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyanthracen-9-one
RefChem:67475
CHEBI:215060

2D Structure

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2D Structure of (+)-oxanthromicin E

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 99.57% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.92% 98.95%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 93.85% 96.21%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.06% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 91.79% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.66% 89.00%
CHEMBL220 P22303 Acetylcholinesterase 90.98% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.88% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.01% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.79% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.97% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.59% 99.15%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.77% 96.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.62% 95.89%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 83.96% 95.64%
CHEMBL4581 P52732 Kinesin-like protein 1 81.06% 93.18%

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.
There are no matching plants.

Cross-Links

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PubChem 146683959
LOTUS LTS0059152
wikiData Q105166240