TPCN00808

Name Melodinine L
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 1228757-25-2
SMILES COC(=O)C1CC23C=CC[N+]4([O-])CCC5(c6ccccc6NC15CC2)C34
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000005% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.72
TPSA 61.39 RotatableBonds 1
FractionCSP3 0.57 Rings 7
AromaticRings 1 AliphaticRings 6