TPCN00136

Name Dregamine
Molecular Formula C21H26N2O3
Molecular Weight 354.45
CAS Registry Number 2299-26-5
SMILES CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana elegans Roots 0.003200% J Ethnopharmacol, 2013, 149, 463-470. 10.1016/j.jep.2013.06.051
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 3.04
TPSA 62.40 RotatableBonds 2
FractionCSP3 0.52 Rings 4
AromaticRings 2 AliphaticRings 2