Methyleutypinol

Details

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Internal ID 26555c91-cd38-4924-bb51-9ca65c6050b0
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzyl alcohols
IUPAC Name [4-methoxy-3-(3-methylbut-3-en-1-ynyl)phenyl]methanol
SMILES (Canonical) CC(=C)C#CC1=C(C=CC(=C1)CO)OC
SMILES (Isomeric) CC(=C)C#CC1=C(C=CC(=C1)CO)OC
InChI InChI=1S/C13H14O2/c1-10(2)4-6-12-8-11(9-14)5-7-13(12)15-3/h5,7-8,14H,1,9H2,2-3H3
InChI Key DHEWMSAMJLJBQB-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H14O2
Molecular Weight 202.25 g/mol
Exact Mass 202.099379685 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyleutypinol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.53% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 94.64% 90.20%
CHEMBL2581 P07339 Cathepsin D 91.04% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.77% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.10% 86.33%
CHEMBL2535 P11166 Glucose transporter 86.74% 98.75%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.67% 90.24%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.54% 86.92%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.72% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.11% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.55% 93.99%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.28% 95.89%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.71% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.06% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.96% 91.11%

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 10998071
LOTUS LTS0080100
wikiData Q77516076