7-Acetyl-4-propan-2-yl-1,4-dihydropyrido[2,1-c][1,4]oxazine-3,8-dione

Details

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Internal ID 4a8999dd-6ed0-40d3-8f87-d95c9e144ecb
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters
IUPAC Name 7-acetyl-4-propan-2-yl-1,4-dihydropyrido[2,1-c][1,4]oxazine-3,8-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H15NO4/c1-7(2)12-13(17)18-6-9-4-11(16)10(8(3)15)5-14(9)12/h4-5,7,12H,6H2,1-3H3
InChI Key KHSSYAAJRGQWDH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H15NO4
Molecular Weight 249.26 g/mol
Exact Mass 249.10010796 g/mol
Topological Polar Surface Area (TPSA) 63.70 Ų
XlogP 1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Acetyl-4-propan-2-yl-1,4-dihydropyrido[2,1-c][1,4]oxazine-3,8-dione

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 96.09% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.65% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.12% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.98% 91.11%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 87.24% 96.77%
CHEMBL340 P08684 Cytochrome P450 3A4 85.82% 91.19%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.28% 93.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.81% 97.21%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.63% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.17% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.04% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 83.03% 94.73%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.66% 87.67%

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 163065550
LOTUS LTS0057845
wikiData Q104170296