TPCN00434

Name Vinorine N4-oxide;Lstoyunines E
Molecular Formula C21H22N2O3
Molecular Weight 350.42
CAS Registry Number 1188932-15-1
SMILES CC=C1C[N+]2([O-])C3CC1C1C(OC(C)=O)C4(CC12)C3=Nc1ccccc14
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Alstonia yunnanensis Whole plants 0.000287% Molecules, 2012, 17, 13631-13647. 10.3390/molecules171113631
Apocynaceae Alstonia yunnanensis Whole plants 0.000192% J Nat Prod, 2009, 72, 1836-1841. 10.1021/np900374s
Properties
HBA 5 HBD 0
HeavyAtoms 26 AlogP 3.01
TPSA 61.72 RotatableBonds 1
FractionCSP3 0.52 Rings 7
AromaticRings 1 AliphaticRings 6