TPCN00718

Name Ervatamines C
Molecular Formula C20H24N2O2
Molecular Weight 324.42
CAS Registry Number 1787259-46-4
SMILES CC=C1C[N+]2(C)CCc3c([nH]c4ccccc34)C(C(=O)[O-])C1CC2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Ervatamia hainanensis Aerial parts 0.000037% J Nat Prod, 2015, 78, 1253-1261. 10.1021/acs.jnatprod.5b00051
Properties
HBA 4 HBD 1
HeavyAtoms 24 AlogP 1.97
TPSA 55.92 RotatableBonds 1
FractionCSP3 0.45 Rings 5
AromaticRings 2 AliphaticRings 3