Summary

IMPPAT Phytochemical identifier: IMPHY007179

Phytochemical name: 1-Naphthylacetic acid

Synonymous chemical names:
1-naphthylacetic acid, 2-1-naphthylacetic acid

External chemical identifiers:
CID:6862, ChEMBL:CHEMBL428495, ChEBI:32918, ZINC:ZINC000000391809, FDASRS:33T7G7757C, SureChEMBL:SCHEMBL35925, MolPort-000-927-953

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Chemical structure information

SMILES:
OC(=O)Cc1cccc2c1cccc2

InChI:
InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)

InChIKey:
PRPINYUDVPFIRX-UHFFFAOYSA-N

DeepSMILES:
OC=O)Ccccccc6cccc6

Functional groups:
CC(=O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.415

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Chemical structure download