TPCN00252

Name Plumerianine
Molecular Formula C13H13NO3
Molecular Weight 231.25
CAS Registry Number 1118591-99-3
SMILES CC(O)C1=CC2(CCc3ccncc32)OC1=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Plumeria acutifolia Leaves 0.000917% Planta Med, 2008, 74, 1749-1750. 10.1055/s-0028-1088317
Properties
HBA 4 HBD 1
HeavyAtoms 17 AlogP 1.09
TPSA 59.42 RotatableBonds 1
FractionCSP3 0.38 Rings 3
AromaticRings 1 AliphaticRings 2