1-Methoxy-2-methyl-3-prop-1-en-2-ylbenzene

Details

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Internal ID 792d0413-0f1c-41bc-a5b1-6438311f9971
Taxonomy Benzenoids > Benzene and substituted derivatives > Phenylpropenes
IUPAC Name 1-methoxy-2-methyl-3-prop-1-en-2-ylbenzene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O/c1-8(2)10-6-5-7-11(12-4)9(10)3/h5-7H,1H2,2-4H3
InChI Key LFJSDOPRELEYLN-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O
Molecular Weight 162.23 g/mol
Exact Mass 162.104465066 g/mol
Topological Polar Surface Area (TPSA) 9.20 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Methoxy-2-methyl-3-prop-1-en-2-ylbenzene

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.22% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.43% 96.09%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.51% 95.50%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.10% 86.33%
CHEMBL2581 P07339 Cathepsin D 87.02% 98.95%
CHEMBL2535 P11166 Glucose transporter 87.00% 98.75%
CHEMBL3714130 P46095 G-protein coupled receptor 6 84.56% 97.36%
CHEMBL1255126 O15151 Protein Mdm4 83.88% 90.20%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.45% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.60% 91.11%
CHEMBL2321614 Q9NPC2 Potassium channel subfamily K member 9 81.54% 80.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.06% 90.24%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.11% 96.00%

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.
Piqueria trinervia

Cross-Links

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PubChem 89193713
LOTUS LTS0077349
wikiData Q105151047