Methyl 5-methoxyheptacosanoate

Details

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Internal ID 3d153233-221c-40ca-9c91-1fef746de9a5
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters
IUPAC Name methyl 5-methoxyheptacosanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H58O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(31-2)26-24-27-29(30)32-3/h28H,4-27H2,1-3H3
InChI Key PIDCSERXMGVCPM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C29H58O3
Molecular Weight 454.80 g/mol
Exact Mass 454.43859571 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 12.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 5-methoxyheptacosanoate

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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.50% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.55% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.82% 97.29%
CHEMBL2581 P07339 Cathepsin D 92.96% 98.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.46% 92.86%
CHEMBL299 P17252 Protein kinase C alpha 89.27% 98.03%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.45% 92.08%
CHEMBL4227 P25090 Lipoxin A4 receptor 87.85% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.97% 93.56%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.74% 94.33%
CHEMBL5255 O00206 Toll-like receptor 4 86.30% 92.50%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 86.28% 95.17%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.19% 91.81%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.95% 85.94%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.33% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.98% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.95% 91.11%
CHEMBL2996 Q05655 Protein kinase C delta 83.42% 97.79%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.73% 94.45%
CHEMBL340 P08684 Cytochrome P450 3A4 82.41% 91.19%
CHEMBL256 P0DMS8 Adenosine A3 receptor 82.26% 95.93%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.88% 100.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.25% 94.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Cerinthe minor

Cross-Links

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PubChem 162979713
LOTUS LTS0067412
wikiData Q105209454