salicylic acid   Click here for help

GtoPdb Ligand ID: 4306

Synonyms: Bazuka Extra Strength Gel® | salicylate
Approved drug PDB Ligand Immunopharmacology Ligand
salicylic acid is an approved drug
Comment: Chemically, salicylic acid is a monohydroxybenzoic acid, a type of phenolic acid and a beta hydroxy acid. It was oridinally isolated from the inner bark of the willow tree. Clinically, it is an important active metabolite of aspirin.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 57.53
Molecular weight 138.03
XLogP 1.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccccc1O
Isomeric 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)
InChI Key YGSDEFSMJLZEOE-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
2-hydroxybenzoic acid
Synonyms Click here for help
Bazuka Extra Strength Gel® | salicylate
Database Links Click here for help
CAS Registry No. 69-72-7 (source: Scifinder)
ChEBI CHEBI:16914
ChEMBL Ligand CHEMBL424
DrugBank Ligand DB00936
DrugCentral Ligand 2416
GtoPdb PubChem SID 178101123
PubChem CID 338
RCSB PDB Ligand SAL
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Wikipedia Salicylic_acid