TPCN00635

Name Venalstonidine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 26619-93-2
SMILES COC(=O)C1CC23CCC14Nc1ccccc1C41CCN(CC4OC42)C31
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000076% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 1.92
TPSA 54.10 RotatableBonds 1
FractionCSP3 0.67 Rings 8
AromaticRings 1 AliphaticRings 7