Secondary metabolite:4-Methylbenzaldehyde



EOCID001380
Summary

sCentInDB Chemical identifier: EOCID001380

Chemical name: 4-Methylbenzaldehyde

Molecular formula: C8H8O

SMILES: O=Cc1ccc(cc1)C

InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3

InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzoyl derivatives


Synonymous chemical name(s):
p-tolualdehyde


External chemical identifier(s):
CID:7725, CHEMBL190927, CHEBI:28617, CHEMSPIDER:13865424, ZINC000000896404, FDASRS:GAX22QZ28Q, MOLPORT:000-141-279, SURECHEMBL:SCHEMBL29171


Spectrabase ID:
JupFSgpvHLd


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
DISCLAIMER

sCentInDB is a comprehensive resource providing detailed information on the essential oils and chemical profiles of Indian medicinal plants. The information included has been manually curated from published research articles and books, with rigorous attention to accuracy and completeness. While every effort has been made to ensure the completeness of the data, we disclaim responsibility for any inaccuracies or omissions present in the original publications from where we have compiled the information. Users are encouraged to critically assess the provided information and exercise discretion in its interpretation and application. This resource aims to support basic research in the field of essential oil chemistry. Please note that the content provided does not necessarily reflect the views or objectives of our employers or funders.