Methyl 8-hydroxydodecanoate

Details

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Internal ID f4bbd2f8-5d3e-47ef-b7bb-18a0059776df
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name methyl 8-hydroxydodecanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H26O3/c1-3-4-9-12(14)10-7-5-6-8-11-13(15)16-2/h12,14H,3-11H2,1-2H3
InChI Key WYUVHXAVEPRUNL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H26O3
Molecular Weight 230.34 g/mol
Exact Mass 230.18819469 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 8-hydroxydodecanoate

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 97.49% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.20% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 95.92% 83.82%
CHEMBL2581 P07339 Cathepsin D 95.81% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.76% 97.29%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 89.80% 95.17%
CHEMBL299 P17252 Protein kinase C alpha 88.49% 98.03%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.13% 93.56%
CHEMBL4227 P25090 Lipoxin A4 receptor 86.92% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.18% 91.11%
CHEMBL256 P0DMS8 Adenosine A3 receptor 86.05% 95.93%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 85.40% 96.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.15% 92.86%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 85.11% 94.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.07% 100.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.72% 97.21%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.10% 92.08%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 83.59% 91.81%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.55% 94.45%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 81.96% 85.94%
CHEMBL340 P08684 Cytochrome P450 3A4 81.32% 91.19%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.66% 96.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.07% 100.00%

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.
Andropogon hallii

Cross-Links

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PubChem 101835054
LOTUS LTS0132593
wikiData Q105322736