TPCN01014

Name Grosheimin
Molecular Formula C15H18O4
Molecular Weight 262.31
CAS Registry Number 22489-66-3
SMILES C=C1CC(O)C2C(=C)C(=O)OC2C2C(C)C(=O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cynara scolymus Leaves 0.180000% Bioorg Med Chem Lett 13(2): 223-228.(2003) 10.1016/s0960-894x(02)00889-2
Asteraceae Cynara cornigera Leaves 0.004000% Planta Med 82(1-2): 138-146.(2016) 10.1055/s-0035-1558088
Properties
HBA 4 HBD 1
HeavyAtoms 19 AlogP 1.25
TPSA 63.60 RotatableBonds 0
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3