TPCN00700

Name Ervatamines I
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 1787259-58-8
SMILES COC(=O)C12CC3CC(C(C)=O)C1N(CCc1c2[nH]c2ccccc12)C3
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Ervatamia hainanensis Aerial parts 0.000044% J Nat Prod, 2015, 78, 1253-1261. 10.1021/acs.jnatprod.5b00051
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.43
TPSA 62.40 RotatableBonds 2
FractionCSP3 0.52 Rings 6
AromaticRings 2 AliphaticRings 4