Summary

IMPPAT Phytochemical identifier: IMPHY006619

Phytochemical name: Salicylaldehyde

Synonymous chemical names:
2-hydroxy-benzaldehyde, 2-hydroxybenzaldehyde, salicyladehyde, salicylaldehyde

External chemical identifiers:
CID:6998, ChEMBL:CHEMBL108925, ChEBI:16008, ZINC:ZINC000000896073, FDASRS:17K64GZH20, SureChEMBL:SCHEMBL15395, MolPort-000-871-199

---

Chemical structure information

SMILES:
O=Cc1ccccc1O

InChI:
InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H

InChIKey:
SMQUZDBALVYZAC-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6O

Functional groups:
cC=O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP-Likeness score: 0.526

---

Covalent inhibitor information

---

Chemical structure download