TPCN00773

Name Ervatamines D
Molecular Formula C21H26N2O3
Molecular Weight 354.45
CAS Registry Number 1787259-48-6
SMILES CC=C1C[N+]2(C)CCc3c([nH]c4ccccc34)C(CO)(C(=O)[O-])C1CC2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Ervatamia hainanensis Aerial parts 0.000015% J Nat Prod, 2015, 78, 1253-1261. 10.1021/acs.jnatprod.5b00051
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 1.12
TPSA 76.15 RotatableBonds 2
FractionCSP3 0.48 Rings 5
AromaticRings 2 AliphaticRings 3