TPCN00105

Name Echitamidine
Molecular Formula C20H24N2O3
Molecular Weight 340.42
CAS Registry Number 38681-90-2
SMILES COC(=O)C1=C2Nc3ccccc3C23CCN2CC(C(C)O)C1CC23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia scholaris Barks 0.004667% Planta Med, 2009, 75, 1537-1541. 10.1055/s-0029-1185900
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 1.88
TPSA 61.80 RotatableBonds 2
FractionCSP3 0.55 Rings 5
AromaticRings 1 AliphaticRings 4