Methyl anthranilate

Details

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Internal ID 0f2ebff1-560b-44cc-913f-d8d349dd4cd7
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters
IUPAC Name methyl 2-aminobenzoate
SMILES (Canonical) COC(=O)C1=CC=CC=C1N
SMILES (Isomeric) COC(=O)C1=CC=CC=C1N
InChI InChI=1S/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChI Key VAMXMNNIEUEQDV-UHFFFAOYSA-N
Popularity 935 references in papers

Physical and Chemical Properties

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Molecular Formula C8H9NO2
Molecular Weight 151.16 g/mol
Exact Mass 151.063328530 g/mol
Topological Polar Surface Area (TPSA) 52.30 Ų
XlogP 1.90

Synonyms

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Methyl 2-aminobenzoate
134-20-3
2-Aminobenzoic acid methyl ester
Methyl o-aminobenzoate
o-Carbomethoxyaniline
Anthranilic acid methyl ester
2-Carbomethoxyaniline
Methylanthranilate
2-(Methoxycarbonyl)aniline
Benzoic acid, 2-amino-, methyl ester
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 anthranilate

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
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 28183.8 nM
Potency
via CMAUP
CHEMBL4159 Q99714 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein 31622.8 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.60% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.83% 91.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.80% 95.50%
CHEMBL221 P23219 Cyclooxygenase-1 84.15% 90.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.47% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.80% 95.56%
CHEMBL2581 P07339 Cathepsin D 82.61% 98.95%
CHEMBL2535 P11166 Glucose transporter 82.61% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 82.39% 94.73%
CHEMBL4208 P20618 Proteasome component C5 80.25% 90.00%

Plants that contains it

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Cross-Links

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PubChem 8635
NPASS NPC226794
ChEMBL CHEMBL1493986
LOTUS LTS0069354
wikiData Q420894