TPCN00842

Name 2??-Hydroxycoronopilin
Molecular Formula C15H20O5
Molecular Weight 280.32
CAS Registry Number 113807-98-0
SMILES C=C1C(=O)OC2C1CCC(C)C1(O)C(O)CC(=O)C21C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Parthenium hysterophorus Aerial parts 0.042857% Phytochemistry 55(7): 769-772.(2000) 10.1016/s0031-9422(00)00288-0
Properties
HBA 5 HBD 2
HeavyAtoms 20 AlogP 0.59
TPSA 83.83 RotatableBonds 0
FractionCSP3 0.73 Rings 3
AromaticRings 0 AliphaticRings 3