TPCN00397

Name Undulifoline
Molecular Formula C20H24N2O3
Molecular Weight 340.42
CAS Registry Number 142750-31-0
SMILES COC(=O)C12COCCC3C(c4c1[nH]c1ccccc41)N(C)CCC32
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia rostrata Barks 0.000357% Org Lett, 2012, 14, 3450-3453. 10.1021/ol301400e
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 2.62
TPSA 54.56 RotatableBonds 1
FractionCSP3 0.55 Rings 5
AromaticRings 2 AliphaticRings 3