n-(4-Hydroxyphenethyl)octacosanamide

Details

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Internal ID 02817da4-ba74-4ba3-b346-8c5b01ad7baf
Taxonomy Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
IUPAC Name N-[2-(4-hydroxyphenyl)ethyl]octacosanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C36H65NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36(39)37-33-32-34-28-30-35(38)31-29-34/h28-31,38H,2-27,32-33H2,1H3,(H,37,39)
InChI Key WCHTVXNKYFQVGW-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C36H65NO2
Molecular Weight 543.90 g/mol
Exact Mass 543.50153032 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 15.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of n-(4-Hydroxyphenethyl)octacosanamide

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 99.07% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.98% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.51% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.58% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.25% 91.11%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 91.81% 96.67%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 91.34% 89.33%
CHEMBL2996 Q05655 Protein kinase C delta 90.97% 97.79%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.52% 97.29%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 86.37% 100.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 86.06% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 85.68% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.26% 97.21%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 84.08% 93.10%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.94% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.77% 90.71%
CHEMBL230 P35354 Cyclooxygenase-2 83.65% 89.63%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.00% 96.95%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 82.39% 94.01%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 82.36% 92.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.26% 100.00%
CHEMBL2535 P11166 Glucose transporter 81.24% 98.75%
CHEMBL2514 O95665 Neurotensin receptor 2 80.12% 100.00%

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.
Croton bonplandianus

Cross-Links

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PubChem 90873687
LOTUS LTS0089750
wikiData Q105301790