TPCN00213

Name Uncarine B N-oxide
Molecular Formula C21H24N2O5
Molecular Weight 384.43
CAS Registry Number 2134113-17-8
SMILES COC(=O)C1=COC(C)C2C[N+]3([O-])CCC4(C(=O)Nc5ccccc54)C3CC12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria hirsuta Stems 0.001200% Fitoterapia, 2017, 116, 85-92. 10.1016/j.fitote.2016.11.013
Properties
HBA 7 HBD 1
HeavyAtoms 28 AlogP 2.08
TPSA 87.69 RotatableBonds 1
FractionCSP3 0.52 Rings 5
AromaticRings 1 AliphaticRings 4