(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide

Details

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Internal ID 707ef178-7f56-4491-824a-b662491d18f2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H19NO/c1-4-6-7-8-9-10-11-12-13-15(17)16-14(3)5-2/h10-14H,5,9H2,1-3H3,(H,16,17)/b11-10+,13-12+/t14-/m1/s1
InChI Key NRCJHYZZFRHVPS-PBKZMAJUSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H19NO
Molecular Weight 229.32 g/mol
Exact Mass 229.146664230 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 94.82% 89.34%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.96% 96.09%
CHEMBL2581 P07339 Cathepsin D 91.81% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.31% 94.45%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 89.17% 100.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 89.11% 96.38%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.80% 99.17%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 85.06% 98.75%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.99% 96.47%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 83.34% 94.33%
CHEMBL221 P23219 Cyclooxygenase-1 83.04% 90.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.57% 96.00%
CHEMBL3401 O75469 Pregnane X receptor 80.50% 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.
Artemisia dracunculus

Cross-Links

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PubChem 163105260
LOTUS LTS0129476
wikiData Q105184350