TPCN00005

Name Ferulagone
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 460991-49-5
SMILES CC=C(C)C(=O)OC12CC(C(=O)C=C1C)C2(C)C
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferulago thirkeana Fruits 0.304414% Planta Med, 2002, 68, 564-567. 10.1055/s-2002-32557
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.81
TPSA 43.37 RotatableBonds 2
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3