TPCN00815

Name 19-oxotabersonine
Molecular Formula C21H22N2O3
Molecular Weight 350.42
CAS Registry Number 70471-42-0
SMILES COC(=O)C1=C2Nc3ccccc3C23CCN2CC=CC(C(C)=O)(C1)C23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000003% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.40
TPSA 58.64 RotatableBonds 2
FractionCSP3 0.43 Rings 5
AromaticRings 1 AliphaticRings 4