TPCN00271

Name 11-hydroxy-14-chloro-15-hydroxy-vincadifformine
Molecular Formula C21H25ClN2O4
Molecular Weight 404.89
CAS Registry Number 1801768-41-1
SMILES CCC12CC(C(=O)OC)=C3Nc4cc(O)ccc4C34CCN(CC(Cl)C1O)C42
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Icacinaceae Alstonia rupestris Aerial parts 0.000780% Fitoterapia, 2014, 97, 142-147. 10.1016/j.fitote.2014.05.018
Properties
HBA 6 HBD 3
HeavyAtoms 28 AlogP 2.34
TPSA 82.03 RotatableBonds 2
FractionCSP3 0.57 Rings 5
AromaticRings 1 AliphaticRings 4