(R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

Details

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Internal ID 1941290b-7325-4973-a88b-6a7fba781285
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name (8aR)-2-[2-(furan-2-yl)-2-oxoethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILES (Canonical) C1CC2C(=O)N(CC(=O)N2C1)CC(=O)C3=CC=CO3
SMILES (Isomeric) C1C[C@@H]2C(=O)N(CC(=O)N2C1)CC(=O)C3=CC=CO3
InChI InChI=1S/C13H14N2O4/c16-10(11-4-2-6-19-11)7-14-8-12(17)15-5-1-3-9(15)13(14)18/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1
InChI Key PIVMKGZOXZAFPM-SECBINFHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H14N2O4
Molecular Weight 262.26 g/mol
Exact Mass 262.09535693 g/mol
Topological Polar Surface Area (TPSA) 70.80 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-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
CHEMBL2581 P07339 Cathepsin D 97.47% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.30% 96.09%
CHEMBL1902 P62942 FK506-binding protein 1A 92.02% 97.05%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.86% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.61% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.39% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.83% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.34% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.57% 86.33%

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 139586174
LOTUS LTS0158519
wikiData Q77500635