2-Methoxytetradecanoic acid

Details

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Internal ID 9158af56-c01f-4bca-83a3-dbf05e6ffd7a
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name 2-methoxytetradecanoic acid
SMILES (Canonical) CCCCCCCCCCCCC(C(=O)O)OC
SMILES (Isomeric) CCCCCCCCCCCCC(C(=O)O)OC
InChI InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(18-2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChI Key SVEUDKQPMQGCGQ-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C15H30O3
Molecular Weight 258.40 g/mol
Exact Mass 258.21949481 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 5.80

Synonyms

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2-Methoxymyristic acid
2-methoxytetra-decanoic acid
2-methoxy-tetradecanoic acid
2-Methoxy tetradecanoic acid
340156-63-0
2-Methoxytetradecanoic acid #
SCHEMBL2553409
DTXSID50346364
SVEUDKQPMQGCGQ-UHFFFAOYSA-N
LMFA01080020

2D Structure

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2D Structure of 2-Methoxytetradecanoic acid

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.90% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.79% 99.17%
CHEMBL2581 P07339 Cathepsin D 93.59% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 91.64% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.68% 96.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 87.29% 92.86%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.69% 93.56%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.96% 92.08%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.82% 100.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 84.24% 95.17%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.87% 97.21%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.54% 91.81%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.47% 100.00%
CHEMBL2885 P07451 Carbonic anhydrase III 80.39% 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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There are no matching plants.

Cross-Links

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PubChem 611552
LOTUS LTS0220617
wikiData Q82119347