TPCN00915

Name Molephantin
Molecular Formula C19H22O6
Molecular Weight 346.38
CAS Registry Number 50656-66-1
SMILES C=C(C)C(=O)OC1CC(C)=CC(=O)C=C(C)C(O)C2OC(=O)C(=C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Elephantopus mollis Leaves 0.010500% Planta Med 73(4): 376-380.(2007) 10.1055/s-2007-967132
Asteraceae Elephantopus mollis Whole plants 0.000078% Phytochemistry 137: 81-86.(2017) 10.1016/j.phytochem.2017.01.020
Properties
HBA 6 HBD 1
HeavyAtoms 25 AlogP 1.80
TPSA 89.90 RotatableBonds 2
FractionCSP3 0.42 Rings 2
AromaticRings 0 AliphaticRings 2