Glucopiericidin A

Details

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Internal ID f7a25fce-58ec-4c91-8876-9ed1b5abe734
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides
IUPAC Name 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,10R,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-1H-pyridin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C31H47NO9/c1-9-19(4)28(41-31-27(37)26(36)25(35)23(16-33)40-31)20(5)15-18(3)12-10-11-17(2)13-14-22-21(6)24(34)29(38-7)30(32-22)39-8/h9-10,12-13,15,20,23,25-28,31,33,35-37H,11,14,16H2,1-8H3,(H,32,34)/b12-10+,17-13+,18-15+,19-9+/t20-,23-,25-,26+,27-,28+,31+/m1/s1
InChI Key YQOARHMNLCWEPG-DFTUVXBYSA-N
Popularity 12 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) 147.00 Ų
XlogP 4.50

Synonyms

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108073-65-0
2,3-dimethoxy-5-methyl-6-((2E,5E,7E,9R,10R,11E)-3,7,9,11-tetramethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxytrideca-2,5,7,11-tetraenyl)-1H-pyridin-4-one
2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,10R,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-2,5,7,11-tetraenyl]-1H-pyridin-4-one
RefChem:143615
beta-D-Glucopyranoside, 10-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridinyl)-2,4,8-trimethyl-1-(1-methyl-1-propenyl)-3,5,8-decatrienyl, (R-(R*,R*-(all-E)))-
piericidin A(1)-10-O-beta-D-glucoside
CHEMBL4092369
orb2943019
SCHEMBL29436924
CHEBI:204473
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Glucopiericidin A

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
CHEMBL1937 Q92769 Histone deacetylase 2 97.55% 94.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.64% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.13% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.47% 98.95%
CHEMBL2535 P11166 Glucose transporter 93.39% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 92.62% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.55% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.27% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.27% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.97% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.83% 94.45%
CHEMBL5103 Q969S8 Histone deacetylase 10 87.10% 90.08%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.63% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.42% 89.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 83.95% 91.07%
CHEMBL4302 P08183 P-glycoprotein 1 83.55% 92.98%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.36% 96.47%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 83.24% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.95% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.23% 97.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.35% 93.56%
CHEMBL220 P22303 Acetylcholinesterase 80.19% 94.45%

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 44608046
LOTUS LTS0094879
wikiData Q77386075