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Pyrronazol A2

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 b0d52075-5094-4e7d-b22d-b8524ed39a50
Taxonomy Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones
IUPAC Name (2S,3S)-2-[2-[(Z)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl]-4-methoxy-3-methyl-2,3-dihydropyran-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H17ClN2O5/c1-9-13(23-2)6-15(22)25-16(9)12-8-24-17(20-12)10(7-21)5-11-3-4-14(18)19-11/h3-6,8-9,16,19,21H,7H2,1-2H3/b10-5-/t9-,16+/m1/s1
InChI Key ZFKNRTLKFAAYBN-WMETXBJESA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H17ClN2O5
Molecular Weight 364.80 g/mol
Exact Mass 364.0825993 g/mol
Topological Polar Surface Area (TPSA) 97.60 Ų
XlogP 2.10

Synonyms

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(2S,3S)-2-[2-[(Z)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl]-1,3-oxazol-4-yl]-4-methoxy-3-methyl-2,3-dihydropyran-6-one
(2S,3S)-2-(2-((Z)-1-(5-chloro-1H-pyrrol-2-yl)-3-hydroxyprop-1-en-2-yl)-1,3-oxazol-4-yl)-4-methoxy-3-methyl-2,3-dihydropyran-6-one
RefChem:177956
CHEBI:210674

2D Structure

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2D Structure of Pyrronazol A2

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.75% 95.56%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 92.94% 86.92%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.21% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.05% 86.33%
CHEMBL2581 P07339 Cathepsin D 90.87% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 90.78% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.65% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.61% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.34% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.06% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 85.24% 94.75%
CHEMBL4040 P28482 MAP kinase ERK2 82.61% 83.82%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.59% 93.03%

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 139587043
LOTUS LTS0083508
wikiData Q77520168