(E)-16-methylnonadec-9-enoic acid

Details

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Internal ID 7092074e-f1b0-4091-b787-132302501403
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name (E,16S)-16-methylnonadec-9-enoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H38O2/c1-3-16-19(2)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(21)22/h4,6,19H,3,5,7-18H2,1-2H3,(H,21,22)/b6-4+/t19-/m0/s1
InChI Key SDEKLJPUPCJPTQ-OQBYNLHGSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H38O2
Molecular Weight 310.50 g/mol
Exact Mass 310.287180451 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 8.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (E)-16-methylnonadec-9-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 97.45% 99.17%
CHEMBL2581 P07339 Cathepsin D 96.82% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.59% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 92.42% 90.17%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 91.23% 92.26%
CHEMBL1781 P11387 DNA topoisomerase I 90.92% 97.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 90.26% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.36% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.21% 96.47%
CHEMBL230 P35354 Cyclooxygenase-2 85.34% 89.63%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.08% 97.29%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 84.08% 89.34%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.27% 100.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.72% 96.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.65% 96.00%

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 163189371
LOTUS LTS0107825
wikiData Q105250598