TPCN00994

Name Kissoone A
Molecular Formula C15H22O
Molecular Weight 218.34
CAS Registry Number 903559-01-3
SMILES CC1=CCCC(=O)C=CC2C(CC1)C2(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Valeriana amurensis Roots 0.004561% Fitoterapia 96: 18-24.(2014) 10.1016/j.fitote.2014.03.025
Properties
HBA 1 HBD 0
HeavyAtoms 16 AlogP 3.90
TPSA 17.07 RotatableBonds 0
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2