TPCN01185

Name Solstitalin A;Solstitialin A 1
Molecular Formula C15H20O5
Molecular Weight 280.32
CAS Registry Number 22738-70-1
SMILES C=C1CCC2C(OC(=O)C2(O)CO)C2C(=C)C(O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centaurea solstitialis Stems 0.001500% Comb Chem High Throughput Screen 19(1): 66-72.(2016) 10.2174/1386207319666151203002117
Asteraceae Cynara cornigera Leaves 0.001000% Planta Med 82(1-2): 138-146.(2016) 10.1055/s-0035-1558088
Properties
HBA 5 HBD 3
HeavyAtoms 20 AlogP 0.15
TPSA 86.99 RotatableBonds 1
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3