Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003327

Phytochemical name: Anthranilic acid

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

External chemical identifiers:
CID:CID_227, ChEMBL:CHEMBL14173, ChEBI: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

Link to spectral information:
MSBNK-Osaka_Univ-OUF00115, MSBNK-NAIST-KNA00060, MSBNK-NAIST-KNA00435, MSBNK-NAIST-KNA00436, MSBNK-NAIST-KNA00437, MSBNK-NAIST-KNA00438, MSBNK-RIKEN-PR010099, MSBNK-NAIST-KNA00059, MSBNK-RIKEN-PR100494, MSBNK-RIKEN_ReSpect-PS004201, MSBNK-RIKEN_ReSpect-PS004202, MSBNK-RIKEN_ReSpect-PS004203, MSBNK-RIKEN_ReSpect-PS004204, MSBNK-RIKEN_ReSpect-PS004205, MSBNK-RIKEN_ReSpect-PS004206, MSBNK-RIKEN-PR100023, MSBNK-NAIST-KNA00058, MSBNK-BGC_Munich-RP011502, MSBNK-Keio_Univ-KO002047, MSBNK-BGC_Munich-RP011501, MSBNK-BGC_Munich-RP011503, MSBNK-BS-BS003073, MSBNK-CASMI_2016-SM800901, MSBNK-CASMI_2016-SM884401, MSBNK-GL_Sciences_Inc-GLS00049, MSBNK-Keio_Univ-KO000014, MSBNK-NAIST-KNA00057, MSBNK-Keio_Univ-KO000016, MSBNK-Keio_Univ-KO000017, MSBNK-Keio_Univ-KO000018, MSBNK-Keio_Univ-KO002043, MSBNK-Keio_Univ-KO002044, MSBNK-Keio_Univ-KO002045, MSBNK-Keio_Univ-KO000015, MSBNK-Keio_Univ-KO002046

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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