Acuminatopyrone

Details

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Internal ID cb102049-d92d-4cf9-9ee7-d4613f671346
Taxonomy Organoheterocyclic compounds > Pyranopyridines
IUPAC Name 4-methoxy-5,6-dimethylpyrano[2,3-b]pyridin-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H11NO3/c1-6-5-12-11-10(7(6)2)8(14-3)4-9(13)15-11/h4-5H,1-3H3
InChI Key RIAVJIUUQSNGLQ-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C11H11NO3
Molecular Weight 205.21 g/mol
Exact Mass 205.07389321 g/mol
Topological Polar Surface Area (TPSA) 48.40 Ų
XlogP 1.60

Synonyms

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135038-52-7
4-methoxy-7,8-dimethylpyrano(3,2-c)pyridin-2-one
Acuminatopyrone
CHEBI:202313
4-methoxy-5,6-dimethylpyrano[2,3-b]pyridin-2-one

2D Structure

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2D Structure of Acuminatopyrone

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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 97.63% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.66% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.27% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 89.89% 94.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.91% 93.65%
CHEMBL2535 P11166 Glucose transporter 87.66% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 86.53% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.10% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.46% 96.00%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 85.43% 81.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.41% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.20% 93.99%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.98% 96.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.55% 89.00%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 81.26% 85.49%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.09% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.58% 94.45%
CHEMBL3524 P56524 Histone deacetylase 4 80.44% 92.97%

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 14841766
LOTUS LTS0075012
wikiData Q77370595