TPCN01249

Name Scoparanolide
Molecular Formula C15H18O3
Molecular Weight 246.31
CAS Registry Number 2226450-61-7
SMILES C=C1C(=O)OC2C1CCC(=C)C1CC=C(C)C12O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Artemisia scoparia Aerial parts 0.001125% Food Sci Biotechnol 25(6): 1701-1708.(2016) 10.1007/s10068-016-0261-x
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.13
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.53 Rings 3
AromaticRings 0 AliphaticRings 3