TPCN00420

Name Paeoniflorigenone
Molecular Formula C17H18O6
Molecular Weight 318.33
CAS Registry Number 80454-42-8
SMILES CC12CC(=O)C3CC1(O)OC(O2)C3COC(=O)c1ccccc1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.000330% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Properties
HBA 6 HBD 1
HeavyAtoms 23 AlogP 1.27
TPSA 82.06 RotatableBonds 3
FractionCSP3 0.53 Rings 4
AromaticRings 1 AliphaticRings 3