TPCN00708

Name Melognine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 2664936-01-8
SMILES COC(=O)C12CC34C=CC[N+]5([O-])CCC1(c1ccccc1NC2CC3)C45
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus fusiformis Leaves 0.000042% Nat Prod Res, 2019, 1-7. 10.1080/14786419.2019.1682579
Apocynaceae Melodinus fusiformis Leaves 0.000042% Natural Product Research 35, 3004-3010 (2021). 10.1080/14786419.2019.1682579
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.72
TPSA 61.39 RotatableBonds 1
FractionCSP3 0.57 Rings 6
AromaticRings 1 AliphaticRings 5