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2-Aminobenzoic acid; Et ester

AlkaPlorer ID: AK024025

Synonym: Ethyl 2-aminobenzoate, Ethyl anthranilate, FEMA 2421

IUPAC Name: ethyl 2-aminobenzoate

Structure

SMILES: CCOC(=O)C1=CC=CC=C1N

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InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3

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InChIKey: TWLLPUMZVVGILS-UHFFFAOYSA-N

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Reference

PubChem CID: 6877

COCONUT: CNP0071170

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Dendrothyrium Didymosphaeriaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 165.19199999999998

TPSA？: 52.32

MolLogP？: 1.4455

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Aspergillus niger Aspergillus niger Activity nan None 10.1007/s00044-010-9537-5
Aspergillus niger Aspergillus niger -logMIC 1.72 None 10.1007/s00044-010-9537-5
Bacillus subtilis Bacillus subtilis Activity nan None 10.1007/s00044-010-9537-5
Bacillus subtilis Bacillus subtilis -logMIC 1.91 None 10.1007/s00044-010-9537-5
Candida albicans Candida albicans Activity nan None 10.1007/s00044-010-9537-5
Candida albicans Candida albicans -logMIC 1.12 None 10.1007/s00044-010-9537-5
Escherichia coli Escherichia coli Activity nan None 10.1007/s00044-010-9537-5
Escherichia coli Escherichia coli -logMIC 1.72 None 10.1007/s00044-010-9537-5
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 22387.2 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Geminin Potency 651.3 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 50118.7 nM None
Rattus norvegicus Rattus norvegicus pLD50 8.23 None 10.1007/s00044-009-9162-3
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 28183.8 nM None
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1007/s00044-010-9537-5
Staphylococcus aureus Staphylococcus aureus -logMIC 1.12 None 10.1007/s00044-010-9537-5
Thrips obscuratus Thrips obscuratus Ratio 0.6 None 10.1021/jf070389a
Thrips obscuratus Thrips obscuratus Ratio 1.6 None 10.1021/jf070389a
Thrips tabaci Thrips tabaci Ratio 1.1 None 10.1021/jf070389a
None Unchecked Potency 446.7 nM None
None Unchecked Potency 4466.8 nM None

Metabolism Information