TPCN00353

Name Melodinine F
Molecular Formula C20H26N2O2
Molecular Weight 326.44
CAS Registry Number 1207530-26-4
SMILES CCC12CCC[N+]3([O-])CCc4c(n(c5ccccc45)C(OC)C1)C23
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Melodinus khasianus Aerial parts 0.000442% J Nat Prod, 2016, 79, 2158-2188. 10.1021/acs.jnatprod.6b00011
Apocynaceae Melodinus henryi Seeds 0.000317% J Nat Prod, 2010, 73, 22-26. 10.1021/np900595v
Properties
HBA 4 HBD 0
HeavyAtoms 24 AlogP 4.29
TPSA 37.22 RotatableBonds 2
FractionCSP3 0.60 Rings 5
AromaticRings 2 AliphaticRings 3