11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

Details

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Internal ID 3abc9033-fde8-45d6-b2f3-277df1889f5e
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILES (Canonical) CCCC(CC=CCCC=CC=CC(=O)NCC(C)C)O
SMILES (Isomeric) CCCC(CC=CCCC=CC=CC(=O)NCC(C)C)O
InChI InChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)
InChI Key AGSDDWKTIRYHSX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H31NO2
Molecular Weight 293.40 g/mol
Exact Mass 293.235479232 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

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 96.77% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.88% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.76% 97.29%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 92.99% 97.34%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.48% 89.34%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.51% 99.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.49% 100.00%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 88.37% 96.38%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.16% 93.56%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 86.98% 95.71%
CHEMBL3401 O75469 Pregnane X receptor 84.25% 94.73%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.88% 96.47%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.70% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.30% 94.45%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.42% 96.00%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 81.09% 98.75%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.58% 94.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.53% 90.71%
CHEMBL4040 P28482 MAP kinase ERK2 80.36% 83.82%

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 integrifoliolum

Cross-Links

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PubChem 163037919
LOTUS LTS0214514
wikiData Q104667915