[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate

Details

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Internal ID 0a0072ba-46e1-426f-bcd3-2406b7ed1bbd
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
IUPAC Name [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
SMILES (Canonical) COC1=C(C=CC(=C1)C=CCOC(=O)C=CC2=CC=CC=C2)O
SMILES (Isomeric) COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC=CC=C2)O
InChI InChI=1S/C19H18O4/c1-22-18-14-16(9-11-17(18)20)8-5-13-23-19(21)12-10-15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3/b8-5+,12-10+
InChI Key SQEKGAVAEOAXJU-JPFJJCCVSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O4
Molecular Weight 310.30 g/mol
Exact Mass 310.12050905 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-phenylprop-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 98.53% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.44% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 97.38% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.97% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.81% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.38% 99.17%
CHEMBL3194 P02766 Transthyretin 88.96% 90.71%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 87.81% 91.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.63% 95.50%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.72% 89.62%
CHEMBL2535 P11166 Glucose transporter 83.38% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.93% 96.95%
CHEMBL4208 P20618 Proteasome component C5 82.80% 90.00%
CHEMBL5028 O14672 ADAM10 81.18% 97.50%
CHEMBL2581 P07339 Cathepsin D 80.78% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.73% 89.00%

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.
Coreopsis nodosa
Styrax benzoin
Styrax tonkinensis

Cross-Links

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PubChem 11978003
NPASS NPC118250
LOTUS LTS0066311
wikiData Q105257806