(2E,4E)-N-(3-methylbutyl)tetradeca-2,4-dien-8,10-diynamide

Details

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Internal ID 2489980f-995c-4903-aeb8-82e0d5a347cc
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (2E,4E)-N-(3-methylbutyl)tetradeca-2,4-dien-8,10-diynamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(21)20-17-16-18(2)3/h12-15,18H,4-5,10-11,16-17H2,1-3H3,(H,20,21)/b13-12+,15-14+
InChI Key FDYGSSBBJNDTPW-SQIWNDBBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H27NO
Molecular Weight 285.40 g/mol
Exact Mass 285.209264485 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 5.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,4E)-N-(3-methylbutyl)tetradeca-2,4-dien-8,10-diynamide

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
CHEMBL2581 P07339 Cathepsin D 96.29% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 95.52% 96.38%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.28% 96.09%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 94.37% 89.34%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 90.55% 95.71%
CHEMBL221 P23219 Cyclooxygenase-1 90.24% 90.17%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 89.94% 97.47%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.81% 99.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.81% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.15% 96.47%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.92% 96.00%
CHEMBL230 P35354 Cyclooxygenase-2 88.55% 89.63%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.76% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.27% 90.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.88% 93.56%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 83.85% 98.75%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.52% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 83.32% 92.86%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.03% 94.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.95% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 81.39% 94.73%

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.
Achillea santolinoides subsp. wilhelmsii

Cross-Links

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PubChem 14015858
LOTUS LTS0193831
wikiData Q104993860