(-)-α-thujone

Ligand id: 5344

Name: (-)-α-thujone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 17.07
Molecular weight 152.12
XLogP 2.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
Synonyms
α-thujone
Database Links
CAS Registry No. 546-80-5 (source: Scifinder)
ChEBI CHEBI:9577
ChEMBL Ligand CHEMBL1444078
PubChem CID 261491
Search Google for chemical match using the InChIKey USMNOWBWPHYOEA-MRTMQBJTSA-N
Search Google for chemicals with the same backbone USMNOWBWPHYOEA
Wikipedia Α-thujone