TPCN01130

Name Cornigeraline
Molecular Formula C15H19ClO4
Molecular Weight 298.77
CAS Registry Number 2071223-41-9
SMILES C=C1CCC2C(OC(=O)C2(O)CCl)C2C(=C)C(O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cynara cornigera Leaves 0.002000% Planta Med 82(1-2): 138-146.(2016) 10.1055/s-0035-1558088
Properties
HBA 4 HBD 2
HeavyAtoms 20 AlogP 1.40
TPSA 66.76 RotatableBonds 1
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3