Tetradecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Details

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Internal ID 37ed50a5-f587-41f6-9c67-5b8d3d5b67c5
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives
IUPAC Name tetradecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILES (Canonical) CCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CCCCCCCCCCCCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C24H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-28-24(26)18-16-21-15-17-22(25)23(20-21)27-2/h15-18,20,25H,3-14,19H2,1-2H3
InChI Key ORLGRYVAVYRPCN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H38O4
Molecular Weight 390.60 g/mol
Exact Mass 390.27700969 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 8.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Tetradecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 97.60% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.59% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.26% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.49% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.03% 96.00%
CHEMBL3194 P02766 Transthyretin 94.53% 90.71%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.86% 92.08%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 91.05% 80.78%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.02% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.42% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.07% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 87.42% 91.49%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.71% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.91% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.07% 90.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.34% 96.95%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.30% 100.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.19% 91.71%

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.
Cedrelinga cateniformis
Erythrina sigmoidea
Jatropha curcas
Jatropha multifida

Cross-Links

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PubChem 54165620
LOTUS LTS0234981
wikiData Q105198026