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

Details

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Internal ID d566d556-50ac-46d6-936a-cc3618e34533
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name (2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]deca-2,4-dienamide
SMILES (Canonical) CCCCCC=CC=CC(=O)NCCC1=CC=C(C=C1)O
SMILES (Isomeric) CCCCC/C=C/C=C/C(=O)NCCC1=CC=C(C=C1)O
InChI InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-18(21)19-15-14-16-10-12-17(20)13-11-16/h6-13,20H,2-5,14-15H2,1H3,(H,19,21)/b7-6+,9-8+
InChI Key LNWXDGQUTGHICD-BLHCBFLLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H25NO2
Molecular Weight 287.40 g/mol
Exact Mass 287.188529040 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2E,4E)-N-[2-(4-hydroxyphenyl)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 99.08% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.22% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.14% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.13% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.65% 94.45%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.94% 92.08%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.53% 96.95%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.43% 96.67%
CHEMBL3401 O75469 Pregnane X receptor 87.29% 94.73%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 86.33% 89.33%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 85.92% 97.29%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 83.66% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.16% 86.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.16% 100.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.28% 94.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.55% 90.71%

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
Anacyclus pyrethrum

Cross-Links

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PubChem 14427415
LOTUS LTS0220799
wikiData Q105154552