TPCN00623

Name Nor-paeonilactone
Molecular Formula C9H14O2
Molecular Weight 154.21
CAS Registry Number 1674369-98-2
SMILES CC1(C)C2CC1(O)CCC2=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.000085% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Properties
HBA 2 HBD 1
HeavyAtoms 11 AlogP 1.13
TPSA 37.30 RotatableBonds 0
FractionCSP3 0.89 Rings 3
AromaticRings 0 AliphaticRings 3