(2E)-4-oxohexadeca-2,15-dienoic acid

Details

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Internal ID d8882fcd-7a8d-495c-9b9f-fd9bc9effb73
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name (2E)-4-oxohexadeca-2,15-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h2,13-14H,1,3-12H2,(H,18,19)/b14-13+
InChI Key FVNVZUDUUWRXLM-BUHFOSPRSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H26O3
Molecular Weight 266.38 g/mol
Exact Mass 266.18819469 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E)-4-oxohexadeca-2,15-dienoic 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 94.79% 99.17%
CHEMBL1829 O15379 Histone deacetylase 3 92.10% 95.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.73% 91.11%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 84.30% 97.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.78% 96.09%

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 11425609
LOTUS LTS0124592
wikiData Q105002591