TPCN01672

Name Neolindenenonelactone
Molecular Formula C16H18O6
Molecular Weight 306.31
CAS Registry Number 957466-21-6
SMILES COC(=O)C(C)=C1C(=O)CC2(C)OC2CCC2=CC1OC2=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Lauraceae Lindera aggregata Roots 0.000200% Chem Pharm Bull (Tokyo) 55(9): 1390-1392.(2007) 10.1248/cpb.55.1390
Properties
HBA 6 HBD 0
HeavyAtoms 22 AlogP 1.24
TPSA 82.20 RotatableBonds 1
FractionCSP3 0.56 Rings 3
AromaticRings 0 AliphaticRings 3