TPCN01788

Name Inuviscolide
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 63109-30-8
SMILES C=C1C(=O)OC2CC(=C)C3CCC(C)(O)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Whole plants 0.000120% Fitoterapia 127: 349-355.(2018) 10.1016/j.fitote.2018.03.015
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.21
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3