(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide

Details

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Internal ID 89672305-9451-412f-81f8-affcd9f8380e
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name (2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
SMILES (Canonical) CCCCCC=CC=CC(=O)NCCC1=CC=C(C=C1)OC
SMILES (Isomeric) CCCCC/C=C/C=C/C(=O)NCCC1=CC=C(C=C1)OC
InChI InChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-10-19(21)20-16-15-17-11-13-18(22-2)14-12-17/h7-14H,3-6,15-16H2,1-2H3,(H,20,21)/b8-7+,10-9+
InChI Key WOVBLOXQMWZOCT-XBLVEGMJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H27NO2
Molecular Weight 301.40 g/mol
Exact Mass 301.204179104 g/mol
Topological Polar Surface Area (TPSA) 38.30 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-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide

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 98.16% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.99% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.02% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.88% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 93.42% 90.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.67% 92.08%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.99% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.60% 94.45%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 89.50% 89.33%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 89.45% 96.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.13% 96.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.44% 97.29%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.35% 95.50%
CHEMBL4208 P20618 Proteasome component C5 86.05% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.37% 86.33%
CHEMBL3437 Q16853 Amine oxidase, copper containing 85.27% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.93% 95.56%
CHEMBL240 Q12809 HERG 84.12% 89.76%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.84% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 82.83% 94.73%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.47% 94.33%
CHEMBL2664 P23526 Adenosylhomocysteinase 80.37% 86.67%

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 millefolium

Cross-Links

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PubChem 14427405
LOTUS LTS0178822
wikiData Q105309703