Lauramine oxide

Details

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Internal ID 81730b2c-7363-4d62-839c-85e139d40bb4
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Aminoxides > Long-chain alkyl amine oxides
IUPAC Name N,N-dimethyldodecan-1-amine oxide
SMILES (Canonical) CCCCCCCCCCCC[N+](C)(C)[O-]
SMILES (Isomeric) CCCCCCCCCCCC[N+](C)(C)[O-]
InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
InChI Key SYELZBGXAIXKHU-UHFFFAOYSA-N
Popularity 949 references in papers

Physical and Chemical Properties

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Molecular Formula C14H31NO
Molecular Weight 229.40 g/mol
Exact Mass 229.240564612 g/mol
Topological Polar Surface Area (TPSA) 18.10 Ų
XlogP 5.30

Synonyms

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1643-20-5
Lauryldimethylamine oxide
Dodecyldimethylamine oxide
Lauryldimethylamine N-oxide
LDAO
N,N-dimethyldodecan-1-amine oxide
1-Dodecanamine, N,N-dimethyl-, N-oxide
Ammonyx AO
Empigen OB
N,N-Dimethyldodecylamine N-oxide
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lauramine oxide

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
CHEMBL3593 P48449 Lanosterol synthase 2150 nM
6310 nM
IC50
IC50
PMID: 20728352
PMID: 22137785

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.76% 92.08%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.11% 92.86%
CHEMBL2581 P07339 Cathepsin D 90.77% 98.95%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 90.66% 91.81%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.20% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.28% 96.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.05% 97.29%
CHEMBL230 P35354 Cyclooxygenase-2 86.59% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.66% 99.17%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 84.01% 90.24%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 82.00% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 81.18% 87.45%

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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Oryza sativa

Cross-Links

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PubChem 15433
NPASS NPC323644
ChEMBL CHEMBL1233973