TPCN01275

Name Carabrone
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 1748-81-8
SMILES C=C1C(=O)OC2CC3(C)C(CCC(C)=O)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Aerial parts 0.001000% Planta Med 68(8): 745-747.(2002) 10.1055/s-2002-33789
Asteraceae Inula hupehensis Aerial parts 0.000089% Planta Med 78(10): 1002-1009.(2012) 10.1055/s-0031-1298621
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.50
TPSA 43.37 RotatableBonds 3
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3