TPCN00807

Name 3-oxo-tabersonine
Molecular Formula C21H22N2O3
Molecular Weight 350.42
CAS Registry Number 67249-35-8
SMILES CCC12C=CC(=O)N3CCC4(C(=C(C(=O)OC)C1)Nc1ccccc14)C32
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000006% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.75
TPSA 58.64 RotatableBonds 2
FractionCSP3 0.43 Rings 5
AromaticRings 1 AliphaticRings 4