Domesticoside

Details

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Internal ID 0b09ab23-f0e4-4334-ab1d-ecc75b26e397
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name 1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
SMILES (Canonical) CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)OC)O
SMILES (Isomeric) CC(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)OC)O
InChI InChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(22-2)4-9(11)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3
InChI Key XERRGONJPVYTDB-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O9
Molecular Weight 344.31 g/mol
Exact Mass 344.11073221 g/mol
Topological Polar Surface Area (TPSA) 146.00 Ų
XlogP -0.60

Synonyms

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pleoside
CHEBI:168004
1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

2D Structure

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2D Structure of Domesticoside

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 98.67% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.88% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.50% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.74% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 89.06% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.09% 94.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.40% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.24% 99.15%
CHEMBL4208 P20618 Proteasome component C5 85.84% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.21% 96.00%
CHEMBL2581 P07339 Cathepsin D 85.08% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.84% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.39% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.06% 95.50%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.53% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.38% 86.33%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.31% 96.95%

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.
Ferula hyrcana
Lepisorus thunbergianus

Cross-Links

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PubChem 75072039
LOTUS LTS0083539
wikiData Q105326561