Secondary metabolite:6,6-Dimethylbicyclo[3.1.1]heptan-2-one



EOCID000630
Summary

sCentInDB Chemical identifier: EOCID000630

Chemical name: 6,6-Dimethylbicyclo[3.1.1]heptan-2-one

Molecular formula: C9H14O

SMILES: O=C1CCC2CC1C2(C)C

InChI: InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3

InChIKey: XZFDKWMYCUEKSS-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Lipids and lipid-like molecules

Class: Prenol lipids

Subclass: Monoterpenoids


Synonymous chemical name(s):
nopinone


External chemical identifier(s):
CID:32735, CHEMSPIDER:30341, MOLPORT:027-835-982, SURECHEMBL:SCHEMBL720591


Spectrabase ID:
9IoJqUJnbjN


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.