TPCN00559

Name Vobasine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 2134-83-0
SMILES CC=C1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Voacanga africana Barks 0.000138% Nat Prod Res, 2016, 30, 1144-1151. 10.1080/14786419.2015.1046132
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 2.96
TPSA 62.40 RotatableBonds 1
FractionCSP3 0.43 Rings 4
AromaticRings 2 AliphaticRings 2