Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009905

Phytochemical name: Salicyl alcohol

Synonymous chemical names:
saligenin, Saligenin, salicyl alcohol

External chemical identifiers:
CID:CID_5146, ChEMBL:CHEMBL280802, ChEBI:CHEBI:16464, ZINC:ZINC000000002054, FDASRS:FA1N0842KB, SureChEMBL:SCHEMBL15639, MolPort-001-759-791

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Chemical structure information

SMILES:
OCc1ccccc1O

InChI:
InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2

InChIKey:
CQRYARSYNCAZFO-UHFFFAOYSA-N

DeepSMILES:
OCcccccc6O

Functional groups:
CO, 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: Benzyl alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.759

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Chemical structure download