TPCN00093

Name Coronaridine
Molecular Formula C21H26N2O2
Molecular Weight 338.45
CAS Registry Number 467-77-6
SMILES CCC1CC2CN3CCc4c([nH]c5ccccc45)C(C(=O)OC)(C2)C13
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bufalina Aerial parts 0.007000% Planta Med, 2018, 84, 1127-1133. 10.1055/a-0608-4988
Apocynaceae Ervatamia hainanensis Aerial parts 0.000522% J Nat Prod, 2015, 78, 1253-1261. 10.1021/acs.jnatprod.5b00051
Apocynaceae Tabernaemontana litoralis Fruits 0.000067% J Nat Prod, 2016, 79, 3143-3147. 10.1021/acs.jnatprod.6b00405
Properties
HBA 4 HBD 1
HeavyAtoms 25 AlogP 3.26
TPSA 45.33 RotatableBonds 2
FractionCSP3 0.57 Rings 6
AromaticRings 2 AliphaticRings 4