3-hydroxy-N-(2-oxooxolan-3-yl)decanamide

Details

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Internal ID b4aad576-84e0-43e7-be56-74a997af3611
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives
IUPAC Name 3-hydroxy-N-(2-oxooxolan-3-yl)decanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17)
InChI Key DOICJCCMIBBSOO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H25NO4
Molecular Weight 271.35 g/mol
Exact Mass 271.17835828 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 2.90

Synonyms

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N-(3-Hydroxydecanoyl)-DL-homoserine lactone
3-hydroxy-N-(2-oxooxolan-3-yl)decanamide
CHEBI:182731
AKOS040755560
N-3-hydroxydecanoyl-DL-Homoserine lactone
PD048775
3-Hydroxy-N-(tetrahydro-2-oxo-3-furanyl)-decanamide

2D Structure

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2D Structure of 3-hydroxy-N-(2-oxooxolan-3-yl)decanamide

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 97.98% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.04% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.82% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.17% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.67% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.67% 94.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.58% 97.29%
CHEMBL4588 P22894 Matrix metalloproteinase 8 86.89% 94.66%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 86.42% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.11% 97.09%
CHEMBL5255 O00206 Toll-like receptor 4 85.98% 92.50%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.81% 96.47%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.91% 93.56%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.83% 92.88%
CHEMBL230 P35354 Cyclooxygenase-2 84.78% 89.63%
CHEMBL5103 Q969S8 Histone deacetylase 10 84.57% 90.08%
CHEMBL1075317 P61964 WD repeat-containing protein 5 82.07% 96.33%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 81.92% 96.11%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 81.56% 96.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.47% 90.71%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.42% 94.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.79% 100.00%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.79% 95.50%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.61% 92.08%
CHEMBL299 P17252 Protein kinase C alpha 80.45% 98.03%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 80.29% 94.80%
CHEMBL340 P08684 Cytochrome P450 3A4 80.14% 91.19%

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 11521893
LOTUS LTS0075880
wikiData Q104985999