TPCN00188

Name 19-epi-voacristine
Molecular Formula C22H28N2O4
Molecular Weight 384.48
CAS Registry Number 6883-77-8
SMILES COC(=O)C12CC3CC(C(C)O)C1N(CCc1c2[nH]c2ccc(OC)cc12)C3
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Voacanga africana Barks 0.001517% Nat Prod Res, 2016, 30, 1144-1154. 10.1080/14786419.2015.1046132
Apocynaceae Tabernaemontana pandacaqui Aerial parts 0.000104% Chem Biodivers, 2018, 15, e1800268. 10.1002/cbdv.201800268
Properties
HBA 6 HBD 2
HeavyAtoms 28 AlogP 2.23
TPSA 74.79 RotatableBonds 3
FractionCSP3 0.59 Rings 6
AromaticRings 2 AliphaticRings 4