TPCN00200

Name 19-epi-heyneanine
Molecular Formula C21H26N2O3
Molecular Weight 354.45
CAS Registry Number 437764-37-9
SMILES COC(=O)C12CC3CC(C(C)O)C1N(CCc1c2[nH]c2ccccc12)C3
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Voacanga africana Barks 0.001379% Nat Prod Res, 2016, 30, 1144-1155. 10.1080/14786419.2015.1046132
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 2.23
TPSA 65.56 RotatableBonds 2
FractionCSP3 0.57 Rings 6
AromaticRings 2 AliphaticRings 4