4-Methoxybenzyl formate

Details

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Internal ID f34dbc52-fb07-4927-876e-91c2685d4bff
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls
IUPAC Name (4-methoxyphenyl)methyl formate
SMILES (Canonical) COC1=CC=C(C=C1)COC=O
SMILES (Isomeric) COC1=CC=C(C=C1)COC=O
InChI InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3
InChI Key XPDORSROGAZEGY-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C9H10O3
Molecular Weight 166.17 g/mol
Exact Mass 166.062994177 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 1.70

Synonyms

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Anisyl formate
122-91-8
(4-methoxyphenyl)methyl formate
p-Methoxybenzyl formate
Anisyl alcohol, formate
Anisyl methanoate
Benzenemethanol, 4-methoxy-, 1-formate
p-Methoxybenzyl alcohol, formate
BENZENEMETHANOL, 4-METHOXY-, FORMATE
p-Anisyl formate
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Methoxybenzyl formate

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 94.14% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.56% 95.56%
CHEMBL4208 P20618 Proteasome component C5 91.44% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.76% 99.17%
CHEMBL2581 P07339 Cathepsin D 90.48% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 89.65% 90.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.70% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.77% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.45% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.79% 95.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.76% 94.00%

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.
Vanilla planifolia

Cross-Links

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PubChem 61054
LOTUS LTS0056163
wikiData Q27268587