Tetracosyl 3-(4-hydroxyphenyl)prop-2-enoate

Details

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Internal ID 0215a36e-f07c-448e-9f1b-8393b7d2d634
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters
IUPAC Name tetracosyl 3-(4-hydroxyphenyl)prop-2-enoate
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=C(C=C1)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=CC1=CC=C(C=C1)O
InChI InChI=1S/C33H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30-36-33(35)29-26-31-24-27-32(34)28-25-31/h24-29,34H,2-23,30H2,1H3
InChI Key FNUQVBAOIKMXFM-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C33H56O3
Molecular Weight 500.80 g/mol
Exact Mass 500.42294564 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 13.90

Synonyms

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Tetracosyl 3-(4-hydroxyphenyl)prop-2-enoate
DTXSID90761092

2D Structure

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2D Structure of Tetracosyl 3-(4-hydroxyphenyl)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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.41% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.32% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.76% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.52% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 90.97% 98.35%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.38% 96.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.38% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.07% 91.11%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 88.91% 91.71%
CHEMBL3194 P02766 Transthyretin 88.91% 90.71%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.85% 97.29%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.74% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.64% 94.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.27% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.70% 93.56%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.39% 80.78%
CHEMBL3401 O75469 Pregnane X receptor 80.26% 94.73%

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.
Artemisia igniaria
Dendrobium falconeri

Cross-Links

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PubChem 71332700
LOTUS LTS0206934
wikiData Q82715764