TPCN00432

Name Raucaffrinoline N4-oxide
Molecular Formula C21H24N2O4
Molecular Weight 368.43
CAS Registry Number 1456618-66-8
SMILES CC(=O)OC1C2C3CC4C5=Nc6ccccc6C51CC2[N+]4([O-])C(C)C3CO
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia yunnanensis Whole plants 0.000293% Molecules, 2012, 17, 13631-13644. 10.3390/molecules171113631
Properties
HBA 6 HBD 1
HeavyAtoms 27 AlogP 2.06
TPSA 81.95 RotatableBonds 2
FractionCSP3 0.62 Rings 7
AromaticRings 1 AliphaticRings 6