TPCN00177

Name Na-demethoxycarbonyl-12-methoxykopsine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 1632480-67-1
SMILES COc1cccc2c1NC13CCC45CCCN6CC(C(=O)C1(O)C4)C23C65
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.001635% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 1.69
TPSA 61.80 RotatableBonds 1
FractionCSP3 0.67 Rings 8
AromaticRings 1 AliphaticRings 7