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

Details

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Internal ID 53d2b6b4-407d-48b8-b717-6f445399c011
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 2-(2,4-dimethoxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran
SMILES (Canonical) CC=CC1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)OC)OC
SMILES (Isomeric) C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3)OC)OC
InChI InChI=1S/C19H18O3/c1-4-5-13-6-9-17-14(10-13)11-19(22-17)16-8-7-15(20-2)12-18(16)21-3/h4-12H,1-3H3/b5-4+
InChI Key DIOUMFOJMGVIPQ-SNAWJCMRSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H18O3
Molecular Weight 294.30 g/mol
Exact Mass 294.125594432 g/mol
Topological Polar Surface Area (TPSA) 31.60 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(2,4-dimethoxyphenyl)-5-[(E)-prop-1-enyl]-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 96.61% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.58% 91.11%
CHEMBL1907 P15144 Aminopeptidase N 95.02% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.04% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 93.01% 90.24%
CHEMBL2487 P05067 Beta amyloid A4 protein 93.00% 96.74%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.40% 86.33%
CHEMBL5747 Q92793 CREB-binding protein 89.35% 95.12%
CHEMBL4208 P20618 Proteasome component C5 88.54% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.90% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.65% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.32% 92.62%
CHEMBL2581 P07339 Cathepsin D 80.43% 98.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.41% 97.21%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.27% 89.62%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 80.14% 92.86%

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.
Krameria bicolor
Krameria erecta
Krameria ramosissima

Cross-Links

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PubChem 13834121
LOTUS LTS0075375
wikiData Q104981545