3-(4-Hydroxyphenyl)propyl pentacosanoate

Details

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Internal ID 681af973-57df-4424-ba7b-9bea14ef3595
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters
IUPAC Name 3-(4-hydroxyphenyl)propyl pentacosanoate
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(C=C1)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC1=CC=C(C=C1)O
InChI InChI=1S/C34H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34(36)37-31-24-25-32-27-29-33(35)30-28-32/h27-30,35H,2-26,31H2,1H3
InChI Key SMFRNZMKWGEDNW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C34H60O3
Molecular Weight 516.80 g/mol
Exact Mass 516.45424577 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 14.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-(4-Hydroxyphenyl)propyl pentacosanoate

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
CHEMBL3060 Q9Y345 Glycine transporter 2 98.10% 99.17%
CHEMBL2581 P07339 Cathepsin D 97.70% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.53% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.74% 92.08%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 90.28% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.34% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.05% 91.11%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.44% 94.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.07% 86.33%
CHEMBL2996 Q05655 Protein kinase C delta 87.49% 97.79%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.54% 97.29%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.11% 90.71%
CHEMBL3437 Q16853 Amine oxidase, copper containing 81.63% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 81.26% 94.73%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 81.01% 91.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.97% 96.95%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 80.31% 94.01%

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.
Taxus canadensis

Cross-Links

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PubChem 100927949
LOTUS LTS0237496
wikiData Q105255893