Methyl 3-(4-methoxyphenoxy)propionate

Details

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Internal ID 2c0c9dee-e977-4e76-a5c2-3d182c13a9d2
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name methyl 3-(4-methoxyphenoxy)propanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H14O4/c1-13-9-3-5-10(6-4-9)15-8-7-11(12)14-2/h3-6H,7-8H2,1-2H3
InChI Key AKBHVBLEQNXNQQ-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14O4
Molecular Weight 210.23 g/mol
Exact Mass 210.08920892 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 1.70

Synonyms

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18333-12-5
Methyl 3-(4-methoxyphenoxy)propionate
967KDN5MJG
methyl 3-p-anisoloxypropionate
Propionic acid, 3-(p-methoxyphenoxy)-, methyl ester
Propanoic acid, 3-(4-methoxyphenoxy)-, methyl ester
UNII-967KDN5MJG
SCHEMBL11233455
methyl3-(4-methoxyphenoxy)propanoate
AKOS005205846
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methyl 3-(4-methoxyphenoxy)propionate

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 96.92% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.64% 91.11%
CHEMBL4208 P20618 Proteasome component C5 94.84% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.76% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.93% 96.00%
CHEMBL221 P23219 Cyclooxygenase-1 85.88% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 83.95% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.12% 94.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 82.64% 94.00%
CHEMBL2243 O00519 Anandamide amidohydrolase 80.57% 97.53%

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 43082932
LOTUS LTS0081366
wikiData Q27271881