5-[(E)-prop-1-enyl]-2-(2,4,5-trimethoxyphenyl)-1-benzofuran

Details

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Internal ID bb645794-914a-40b2-85db-c278c1360250
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 5-[(E)-prop-1-enyl]-2-(2,4,5-trimethoxyphenyl)-1-benzofuran
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H20O4/c1-5-6-13-7-8-16-14(9-13)10-18(24-16)15-11-19(22-3)20(23-4)12-17(15)21-2/h5-12H,1-4H3/b6-5+
InChI Key ZVDQMUSBHSBFLK-AATRIKPKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H20O4
Molecular Weight 324.40 g/mol
Exact Mass 324.13615911 g/mol
Topological Polar Surface Area (TPSA) 40.80 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[(E)-prop-1-enyl]-2-(2,4,5-trimethoxyphenyl)-1-benzofuran

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
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 95.54% 96.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.91% 86.33%
CHEMBL2487 P05067 Beta amyloid A4 protein 91.36% 96.74%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.03% 91.11%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.86% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.18% 95.56%
CHEMBL5747 Q92793 CREB-binding protein 87.56% 95.12%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.70% 89.62%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.70% 97.21%
CHEMBL1907 P15144 Aminopeptidase N 84.56% 93.31%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 84.15% 94.03%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.22% 89.00%
CHEMBL3194 P02766 Transthyretin 82.16% 90.71%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.68% 96.95%
CHEMBL2535 P11166 Glucose transporter 80.85% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.34% 94.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.16% 92.94%

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 101616681
LOTUS LTS0069619
wikiData Q105384223