TPCN00861

Name Inuloxins A
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 1418196-95-8
SMILES C=C1C(=O)OC2CC(C)CCC(=O)C(C)=CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Inula viscosa Aerial parts 0.026250% Phytochemistry 86, 112-120.(2013) 10.1016/j.phytochem.2012.10.003
Properties
HBA 3 HBD 0
HeavyAtoms 18 AlogP 2.81
TPSA 43.37 RotatableBonds 0
FractionCSP3 0.60 Rings 2
AromaticRings 0 AliphaticRings 2