TPCN00566

Name Melodinine S
Molecular Formula C24H28N2O4
Molecular Weight 408.50
CAS Registry Number 1356156-00-7
SMILES CCC12CC(C(=O)OC)=C3Nc4ccccc4C34CCN(C(CC(C)=O)C3OC31)C42
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Bousigonia mekongensis Aerial parts 0.000133% Molecules, 2019, 24. 10.3390/molecules24071256
Properties
HBA 6 HBD 1
HeavyAtoms 30 AlogP 2.78
TPSA 71.17 RotatableBonds 4
FractionCSP3 0.58 Rings 6
AromaticRings 1 AliphaticRings 5