TPCN02895

Name Lepenine
Molecular Formula C22H33NO3
Molecular Weight 359.51
CAS Registry Number 111524-32-4
SMILES C=C1C2CCC3(C1O)C1CC4C5(C)CCC(O)C4(C1N(CC)C5)C3C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum brachypodum Roots 0.000177% J Asian Nat Prod Res 18, 908-912 (2016). 10.1080/10286020.2016.1173677
Properties
HBA 4 HBD 3
HeavyAtoms 26 AlogP 1.79
TPSA 63.93 RotatableBonds 1
FractionCSP3 0.91 Rings 7
AromaticRings 0 AliphaticRings 7