TPCN00737

Name Ervatamines E
Molecular Formula C21H26N2O4
Molecular Weight 370.45
CAS Registry Number 1787259-50-0
SMILES C[N+]12CCc3c([nH]c4ccccc34)C(CO)(C(=O)[O-])C(CC1)C(=CCO)C2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Ervatamia hainanensis Aerial parts 0.000031% J Nat Prod, 2015, 78, 1253-1261. 10.1021/acs.jnatprod.5b00051
Properties
HBA 6 HBD 3
HeavyAtoms 27 AlogP 0.09
TPSA 96.38 RotatableBonds 3
FractionCSP3 0.48 Rings 5
AromaticRings 2 AliphaticRings 3