Summary

IMPPAT Phytochemical identifier: IMPHY005706

Phytochemical name: Anthranilic acid

Synonymous chemical names:
2-aminobenzoic acid, anthranilate, anthranilic acid, anthranilic-acid

External chemical identifiers:
CID:227, ChEMBL:CHEMBL14173, ChEBI:30754, ZINC:ZINC000000047985, FDASRS:0YS975XI6W, SureChEMBL:SCHEMBL675

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Chemical structure information

SMILES:
OC(=O)c1ccccc1N

InChI:
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey:
RWZYAGGXGHYGMB-UHFFFAOYSA-N

DeepSMILES:
OC=O)cccccc6N

Functional groups:
cC(=O)O, cN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides

NP Classifier Superclass: Anthranilic acid alkaloids, Small peptides

NP Classifier Class: Aminoacids, Anthranillic acid derivatives

NP-Likeness score: 0.056

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Chemical structure download