TPCN00791

Name 3-oxo-11-methoxytabersonine
Molecular Formula C22H24N2O4
Molecular Weight 380.44
CAS Registry Number 102719-84-6
SMILES CCC12C=CC(=O)N3CCC4(C(=C(C(=O)OC)C1)Nc1cc(OC)ccc14)C32
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus henryi Barks 0.000010% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 6 HBD 1
HeavyAtoms 28 AlogP 2.76
TPSA 67.87 RotatableBonds 3
FractionCSP3 0.45 Rings 5
AromaticRings 1 AliphaticRings 4