2-(4-Hydroxyphenyl)ethyl tetracosanoate

Details

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Internal ID d5e79fec-a504-4f94-bd8a-355aa798d4fd
Taxonomy Benzenoids > Phenols > Tyrosols and derivatives
IUPAC Name 2-(4-hydroxyphenyl)ethyl tetracosanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(34)35-29-28-30-24-26-31(33)27-25-30/h24-27,33H,2-23,28-29H2,1H3
InChI Key CQXMAMUUWHYSIY-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C32H56O3
Molecular Weight 488.80 g/mol
Exact Mass 488.42294564 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 13.40

Synonyms

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2-(4'-Hydroxyphenyl)-ethyl lignocerate

2D Structure

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2D Structure of 2-(4-Hydroxyphenyl)ethyl tetracosanoate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.71% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.64% 99.17%
CHEMBL2581 P07339 Cathepsin D 97.24% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.89% 92.08%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 90.44% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.34% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.98% 94.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 89.46% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.07% 86.33%
CHEMBL2996 Q05655 Protein kinase C delta 87.99% 97.79%
CHEMBL3437 Q16853 Amine oxidase, copper containing 82.59% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 81.80% 94.73%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.51% 97.25%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.95% 96.95%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.61% 90.71%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 80.51% 94.01%
CHEMBL3891 P07384 Calpain 1 80.14% 93.04%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.09% 97.29%

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.
Buddleja cordata

Cross-Links

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PubChem 481677
LOTUS LTS0221787
wikiData Q104968341