TPCN02205

Name Napelline
Molecular Formula C22H33NO3
Molecular Weight 359.51
CAS Registry Number 5008-52-6
SMILES C=C1C2CC3(C1O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3CC2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum pendulum Roots 0.007550% Nat Prod Bioprospect 9, 419-423 (2019). 10.1007/s13659-019-00227-y
Ranunculaceae Aconitum nagarum Roots 0.000350% Planta Med 2005; 71: 1073±1076 10.1055/s-2005-873135
Properties
HBA 4 HBD 3
HeavyAtoms 26 AlogP 1.79
TPSA 63.93 RotatableBonds 1
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6