Glucopiericidin B

Details

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Internal ID 1315e08c-0027-4768-93ec-9cfb176791c0
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides
IUPAC Name 2-(hydroxymethyl)-6-[[2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridinyl]oxy]oxane-3,4,5-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H47NO9/c1-9-19(4)24(34)20(5)15-18(3)12-10-11-17(2)13-14-22-21(6)28(29(38-7)30(32-22)39-8)41-31-27(37)26(36)25(35)23(16-33)40-31/h9-10,12-13,15,20,23-27,31,33-37H,11,14,16H2,1-8H3/b12-10+,17-13+,18-15+,19-9+
InChI Key WVZQNDRVLFQNNC-RUWVLUCPSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C31H47NO9
Molecular Weight 577.70 g/mol
Exact Mass 577.32508208 g/mol
Topological Polar Surface Area (TPSA) 151.00 Ų
XlogP 4.60

Synonyms

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108073-61-6
2-(hydroxymethyl)-6-[2-[(2E,5E,7E,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methylpyridin-4-yl]oxyoxane-3,4,5-triol
Piericidin A(1)-3'-O-D-glucoside
D-Glucopyranoside, 2-(10-hydroxy-3,7,9,11-tetramethyl-2,5,7,11,tridecatetraenyl)-5,6-dimethoxy-3-methyl-4-pyridinyl-, (R-(R*,R*(all E)))-

2D Structure

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2D Structure of Glucopiericidin 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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 98.55% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 95.02% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.65% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.86% 96.09%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 91.39% 93.10%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.85% 96.00%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 88.70% 89.44%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.48% 91.11%
CHEMBL2535 P11166 Glucose transporter 88.15% 98.75%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.42% 95.50%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.16% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.00% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 84.24% 94.75%
CHEMBL2581 P07339 Cathepsin D 82.29% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.18% 99.23%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.56% 93.56%

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 6441176
LOTUS LTS0198959
wikiData Q105313891