TPCN00272

Name Perakine N1,N4-dioxide;Vinorine N1,N4-dioxide
Molecular Formula C21H22N2O5
Molecular Weight 382.42
CAS Registry Number 1801869-02-2
SMILES CC(=O)OC1C2C3CC4C5=[N+]([O-])c6ccccc6C51CC2[N+]4([O-])C(C)C3C=O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Icacinaceae Alstonia rupestris Aerial parts 0.000770% Fitoterapia, 2014, 97, 142-147. 10.1016/j.fitote.2014.05.018
Icacinaceae Alstonia rupestris Aerial parts 0.000570% Fitoterapia, 2014, 97, 142-147. 10.1016/j.fitote.2014.05.018
Properties
HBA 7 HBD 0
HeavyAtoms 28 AlogP 1.77
TPSA 92.50 RotatableBonds 2
FractionCSP3 0.57 Rings 7
AromaticRings 1 AliphaticRings 6