Summary

IMPPAT Phytochemical identifier: IMPHY011523

Phytochemical name: Salicylic acid

Synonymous chemical names:
2-hydroxybenzoic acid, salicyclic acid, salicylate, salicylic acid, salicylic-acid

External chemical identifiers:
CID:338, ChEMBL:CHEMBL424, ChEBI:16914, ZINC:ZINC000000001554, FDASRS:O414PZ4LPZ, SureChEMBL:SCHEMBL1967, MolPort-001-769-476

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Chemical structure information

SMILES:
OC(=O)c1ccccc1O

InChI:
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

InChIKey:
YGSDEFSMJLZEOE-UHFFFAOYSA-N

DeepSMILES:
OC=O)cccccc6O

Functional groups:
cC(=O)O, cO

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: 0.139

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Chemical structure download