TPCN02130

Name Isotelekin
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 17322-82-6
SMILES C=C1C(=O)OC2CC3(C)CCC(O)C(=C)C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium abrotanoides Whole plants 0.000032% Natural Product Research, (2021). 10.1080/14786419.2021.1955881
Asteraceae Inula helenium Roots 0.000027% Bioorganic Chemistry 114, (2021). 10.1016/j.bioorg.2021.105066
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.21
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3