(2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide

Details

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Internal ID 045da637-c6e7-48e7-baad-76419bb42132
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide
SMILES (Canonical) CC=CC=CC=CCCC=CC=CC(=O)NC(C)C
SMILES (Isomeric) C/C=C/C=C/C=C\CC/C=C/C=C/C(=O)NC(C)C
InChI InChI=1S/C17H25NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3/h4-9,12-16H,10-11H2,1-3H3,(H,18,19)/b5-4+,7-6+,9-8-,13-12+,15-14+
InChI Key PSKIOIDCXFHNJA-JDXPBYPHSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H25NO
Molecular Weight 259.40 g/mol
Exact Mass 259.193614421 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,4E,8Z,10E,12E)-N-propan-2-yltetradeca-2,4,8,10,12-pentaenamide

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
CHEMBL4040 P28482 MAP kinase ERK2 97.56% 83.82%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 89.89% 89.34%
CHEMBL2581 P07339 Cathepsin D 89.30% 98.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.59% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.84% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.77% 99.17%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.26% 94.33%
CHEMBL3401 O75469 Pregnane X receptor 81.97% 94.73%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.69% 96.47%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.55% 93.56%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.90% 89.50%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.64% 98.75%

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.
Zanthoxylum ailanthoides
Zanthoxylum bungeanum
Zanthoxylum gilletii
Zanthoxylum integrifoliolum
Zanthoxylum zanthoxyloides

Cross-Links

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PubChem 5321102
LOTUS LTS0210587
wikiData Q105214223