Lipoxazolidinone C

Details

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Internal ID 29d5d6e4-0fe0-4791-a27e-cb0f4cb62153
Taxonomy Organoheterocyclic compounds > Azolidines > Oxazolidines > Oxazolidinones
IUPAC Name (2E)-5-butyl-2-[(E)-4-methyl-2-oxodec-3-enylidene]-1,3-oxazolidin-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H29NO3/c1-4-6-8-9-10-14(3)12-15(20)13-17-19-18(21)16(22-17)11-7-5-2/h12-13,16H,4-11H2,1-3H3,(H,19,21)/b14-12+,17-13+
InChI Key NHCONVHYGAHXRU-SWZGKVDCSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C18H29NO3
Molecular Weight 307.40 g/mol
Exact Mass 307.21474379 g/mol
Topological Polar Surface Area (TPSA) 55.40 Ų
XlogP 5.20

Synonyms

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lipoxazolidine C
CHEMBL251478
SCHEMBL12812711
(2E)-5-butyl-2-[(E)-4-methyl-2-oxodec-3-enylidene]-1,3-oxazolidin-4-one

2D Structure

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2D Structure of Lipoxazolidinone C

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.91% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.50% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.94% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.37% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 93.14% 89.63%
CHEMBL2581 P07339 Cathepsin D 92.28% 98.95%
CHEMBL299 P17252 Protein kinase C alpha 91.86% 98.03%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.37% 97.25%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.36% 92.08%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.14% 99.23%
CHEMBL255 P29275 Adenosine A2b receptor 87.54% 98.59%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.63% 100.00%
CHEMBL2996 Q05655 Protein kinase C delta 85.32% 97.79%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.77% 97.29%
CHEMBL325 Q13547 Histone deacetylase 1 84.21% 95.92%
CHEMBL5103 Q969S8 Histone deacetylase 10 81.46% 90.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.85% 89.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.50% 92.88%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.48% 100.00%
CHEMBL5255 O00206 Toll-like receptor 4 80.29% 92.50%

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 23642823
LOTUS LTS0222332
wikiData Q77493030