Summary

IMPPAT Phytochemical identifier: IMPHY015659

Phytochemical name: Ethyl anthranilate

Synonymous chemical names:
ethyl anthranilate

External chemical identifiers:
CID:6877, ChEMBL:CHEMBL1332922, ChEBI:173741, ZINC:ZINC000003861699, FDASRS:38Y050IUE4, SureChEMBL:SCHEMBL34474, MolPort-001-769-730

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Chemical structure information

SMILES:
CCOC(=O)c1ccccc1N

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

InChIKey:
TWLLPUMZVVGILS-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)cccccc6N

Functional groups:
cC(=O)OC, 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

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Anthranillic acid derivatives

NP-Likeness score: -0.451

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Chemical structure download