TPCN00224

Name 20-epi-19-oxodihydroakuammicine
Molecular Formula C20H22N2O3
Molecular Weight 338.41
CAS Registry Number 1236196-12-5
SMILES COC(=O)C1=C2Nc3ccccc3C23CCN2CC(C(C)=O)C1CC23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia scholaris Barks 0.001133% Planta Med, 2009, 75, 1537-1541. 10.1055/s-0029-1185900
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 2.09
TPSA 58.64 RotatableBonds 2
FractionCSP3 0.50 Rings 5
AromaticRings 1 AliphaticRings 4