3-Phenylpropyl cinnamate

Details

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Internal ID 6a6427c6-95ff-437e-9236-74d07d13bdea
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
IUPAC Name 3-phenylpropyl (E)-3-phenylprop-2-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+
InChI Key LYRAHIUDQRJGGZ-BUHFOSPRSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O2
Molecular Weight 266.30 g/mol
Exact Mass 266.130679813 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 4.90

Synonyms

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Cinnamic acid, 3-phenylpropyl ester
3-Phenylpropyl 3-phenyl-2-propenoate
FEMA No. 2894
F0Q8B0FS94
3-PHENYLPROPYL (2E)-3-PHENYLPROP-2-ENOATE
2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester, (2E)-
DTXCID7027411
DTXSID9047411
RefChem:95347
204-565-6
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-Phenylpropyl cinnamate

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 97.05% 86.33%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 96.13% 94.62%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.70% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.16% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.15% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.13% 96.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 88.34% 91.71%
CHEMBL221 P23219 Cyclooxygenase-1 86.39% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.17% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.68% 91.11%
CHEMBL5028 O14672 ADAM10 82.62% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5320530
NPASS NPC116779