TPCN00575

Name Gardfloramine-N(4)-oxide
Molecular Formula C22H24N2O6
Molecular Weight 412.44
CAS Registry Number 1287228-43-6
SMILES COCC=C1C[N+]2([O-])C3CC45C(=Nc6cc7c(c(OC)c64)OCO7)OCC3C1CC52
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Loganiaceae Gardneria ovata Aerial parts 0.000129% J Nat Prod, 2011, 74, 1073-1078. 10.1021/np2000254
Properties
HBA 8 HBD 0
HeavyAtoms 30 AlogP 2.41
TPSA 81.57 RotatableBonds 3
FractionCSP3 0.59 Rings 8
AromaticRings 1 AliphaticRings 7