TPCN01060

Name Arguerin B;Aguerin B
Molecular Formula C19H22O5
Molecular Weight 330.38
CAS Registry Number 68370-45-6
SMILES C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cynara scolymus Leaves 0.047000% Bioorg Med Chem Lett 13(2): 223-228.(2003) 10.1016/s0960-894x(02)00889-2
Asteraceae Hemisteptia lyrata Flowers 0.003000% Arch Pharm Res 26(11): 925-928.(2003) 10.1007/bf02980201
Asteraceae Psephellus pyrrhoblepharus Aerial parts 0.001187% Molecules 24(17).(2019) 10.3390/molecules24173165
Asteraceae Saussurea calcicola Aerial parts 0.000500% Arch Pharm Res 28(10): 1142-1146.(2005) 10.1007/bf02972976
Properties
HBA 5 HBD 1
HeavyAtoms 24 AlogP 2.09
TPSA 72.83 RotatableBonds 2
FractionCSP3 0.47 Rings 3
AromaticRings 0 AliphaticRings 3