TPCN00103

Name Nareline
Molecular Formula C20H20N2O4
Molecular Weight 352.39
CAS Registry Number 63950-46-9
SMILES CC=C1C2CC3C4=Nc5ccccc5C4(C2C(=O)OC)C2C(O)ON3C12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia scholaris Leaves 0.004680% Fitoterapia, 2015, 105, 160-164. 10.1016/j.fitote.2015.06.019
Apocynaceae Alstonia scholaris Barks 0.000280% Planta Med, 2009, 75, 1537-1541. 10.1055/s-0029-1185900
Apocynaceae Alstonia scholaris Leaves 0.000030% Fitoterapia, 2018, 124, 73-79. 10.1016/j.fitote.2017.10.018
Properties
HBA 6 HBD 1
HeavyAtoms 26 AlogP 1.71
TPSA 71.36 RotatableBonds 1
FractionCSP3 0.50 Rings 7
AromaticRings 1 AliphaticRings 6