TPCN01540

Name Japonicolactone
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 139742-21-5
SMILES C=C1CCC2C1C1OC(=O)C(C)C1CCC2(O)CO
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Schisandraceae Saussurea involucrata Aerial parts 0.000333% Fitoterapia 82(7): 983-987.(2011) 10.1016/j.fitote.2011.05.015
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.26
TPSA 66.76 RotatableBonds 1
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3