TPCN00034

Name Kopsinine
Molecular Formula C21H26N2O2
Molecular Weight 338.45
CAS Registry Number 559-51-3
SMILES COC(=O)C1CC23CCCN4CCC5(c6ccccc6NC15CC2)C43
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.036471% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Apocynaceae Melodinus henryi Barks 0.000007% Fitoterapia, 2019, 138, 104354. 10.1016/j.fitote.2019.104354
Properties
HBA 4 HBD 1
HeavyAtoms 25 AlogP 2.93
TPSA 41.57 RotatableBonds 1
FractionCSP3 0.67 Rings 7
AromaticRings 1 AliphaticRings 6