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Lusitanicoside

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 5a284763-a66e-4ee8-9540-8ae582bab747
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H30O10/c1-3-4-11-5-7-12(8-6-11)30-21-19(27)17(25)15(23)13(31-21)9-28-20-18(26)16(24)14(22)10(2)29-20/h3,5-8,10,13-27H,1,4,9H2,2H3/t10-,13+,14-,15+,16+,17-,18+,19+,20+,21+/m0/s1
InChI Key DAELTTGCCPRYTP-ZLQZEYEISA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C21H30O10
Molecular Weight 442.50 g/mol
Exact Mass 442.18389715 g/mol
Topological Polar Surface Area (TPSA) 158.00 Ų
XlogP -0.80

Synonyms

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499-35-4
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
C10474
Chavicol beta-rutinoside
AC1L9DFB
CHEBI:6575
orb1990360
SCHEMBL14075608
DTXSID30331955
MolPort-005-945-865
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lusitanicoside

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
CHEMBL1951 P21397 Monoamine oxidase A 97.29% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.19% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.95% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 92.23% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.82% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.81% 86.33%
CHEMBL226 P30542 Adenosine A1 receptor 90.21% 95.93%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.90% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.89% 95.89%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 87.30% 83.57%
CHEMBL3714130 P46095 G-protein coupled receptor 6 86.86% 97.36%
CHEMBL4208 P20618 Proteasome component C5 86.48% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.10% 94.00%
CHEMBL221 P23219 Cyclooxygenase-1 83.91% 90.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.83% 97.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.91% 90.24%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.75% 95.89%
CHEMBL5957 P21589 5'-nucleotidase 80.91% 97.78%

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.
Alpinia officinarum

Cross-Links

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PubChem 442799
LOTUS LTS0061891
wikiData Q27107250