TPCN02096

Name Selina-4(14),7(11)-dien-8-one
Molecular Formula C15H22O
Molecular Weight 218.34
CAS Registry Number 54707-47-0
SMILES C=C1CCCC2(C)CC(=O)C(=C(C)C)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Atractylodes macrocephala Subterraneous stems 0.001500% Natural Product Research 36, 1230-1235 (2022). 10.1080/14786419.2020.1869970
Properties
HBA 1 HBD 0
HeavyAtoms 16 AlogP 4.05
TPSA 17.07 RotatableBonds 0
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2