7-Methoxydodec-4-enoic acid

Details

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Internal ID a73b0a50-89c1-4222-84a0-c97f9d2363fb
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name 7-methoxydodec-4-enoic acid
SMILES (Canonical) CCCCCC(CC=CCCC(=O)O)OC
SMILES (Isomeric) CCCCCC(CC=CCCC(=O)O)OC
InChI InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)
InChI Key KBMNVOKQUUZFOO-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H24O3
Molecular Weight 228.33 g/mol
Exact Mass 228.17254462 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 3.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Methoxydodec-4-enoic 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
CHEMBL3060 Q9Y345 Glycine transporter 2 98.04% 99.17%
CHEMBL2581 P07339 Cathepsin D 94.74% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.26% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.51% 97.29%
CHEMBL1907 P15144 Aminopeptidase N 87.62% 93.31%
CHEMBL1781 P11387 DNA topoisomerase I 87.29% 97.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 85.37% 96.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.01% 92.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.04% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.87% 96.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.64% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 83.40% 91.19%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 83.03% 97.34%
CHEMBL5255 O00206 Toll-like receptor 4 82.79% 92.50%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.37% 96.95%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.13% 91.81%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.08% 100.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.06% 100.00%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 81.02% 85.94%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.55% 100.00%

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 78412687
LOTUS LTS0067384
wikiData Q104170115