Summary

IMPPAT Phytochemical identifier: IMPHY007048

Phytochemical name: Benzyl salicylate

Synonymous chemical names:
benzyl 2-hydroxybenzoate, benzyl salicylate, benzyl salycilate, benzyl-salicylate

External chemical identifiers:
CID:8363, ChEMBL:CHEMBL460124, ChEBI:165211, ZINC:ZINC000000388079, FDASRS:WAO5MNK9TU, SureChEMBL:SCHEMBL15573, MolPort-001-792-256

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Chemical structure information

SMILES:
O=C(c1ccccc1O)OCc1ccccc1

InChI:
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

InChIKey:
ZCTQGTTXIYCGGC-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6O)))))))OCcccccc6

Functional groups:
cC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)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: -0.175

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Chemical structure download