TPCN00509

Name Pachysiphine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 2447-58-7
SMILES CCC12CC(C(=O)OC)=C3Nc4ccccc4C34CCN(CC3OC31)C42
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Bousigonia mekongensis Aerial parts 0.000183% Molecules, 2019, 24. 10.3390/molecules24071256
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.43
TPSA 54.10 RotatableBonds 2
FractionCSP3 0.57 Rings 6
AromaticRings 1 AliphaticRings 5