TPCN00363

Name Kopsinine B
Molecular Formula C21H26N2O3
Molecular Weight 354.45
CAS Registry Number 88607-44-7
SMILES COC(=O)C1(O)CC23CCCN4CCC5(c6ccccc6NC15CC2)C43
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.000424% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 2.04
TPSA 61.80 RotatableBonds 1
FractionCSP3 0.67 Rings 7
AromaticRings 1 AliphaticRings 6