Phenol,2-ethoxy-4-(2-propen-1-yl)-

Details

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Internal ID 141037ba-c7ae-4a74-be1b-0cf77ff0f1b9
Taxonomy Benzenoids > Phenol ethers
IUPAC Name 2-ethoxy-4-prop-2-enylphenol
SMILES (Canonical) CCOC1=C(C=CC(=C1)CC=C)O
SMILES (Isomeric) CCOC1=C(C=CC(=C1)CC=C)O
InChI InChI=1S/C11H14O2/c1-3-5-9-6-7-10(12)11(8-9)13-4-2/h3,6-8,12H,1,4-5H2,2H3
InChI Key LEXYYUGWWDAGQB-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C11H14O2
Molecular Weight 178.23 g/mol
Exact Mass 178.099379685 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.30

Synonyms

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o-ethoxy-p-allylphenol
4-Allyl-2-ethoxyphenol #
SCHEMBL4621763
2-ethoxy-4(2-propenyl)-phenol
DTXSID601317878

2D Structure

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2D Structure of Phenol,2-ethoxy-4-(2-propen-1-yl)-

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
CHEMBL1951 P21397 Monoamine oxidase A 97.39% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.76% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.50% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.10% 99.17%
CHEMBL2581 P07339 Cathepsin D 90.92% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.11% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.09% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 86.38% 94.73%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.65% 90.24%
CHEMBL4208 P20618 Proteasome component C5 83.42% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.53% 95.89%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.94% 96.95%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.54% 95.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.54% 95.56%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 80.10% 97.88%

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.
Cyperus conglomeratus

Cross-Links

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PubChem 601250
LOTUS LTS0127249
wikiData Q105150878