TPCN00589

Name (3R)-hydroxyibogaine
Molecular Formula C20H26N2O2
Molecular Weight 326.44
CAS Registry Number 2276636-13-4
SMILES CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2O)C13
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana pandacaqui Aerial parts 0.000116% Chem Biodivers, 2018, 15, e1800268. 10.1002/cbdv.201800268
Properties
HBA 4 HBD 2
HeavyAtoms 24 AlogP 3.26
TPSA 48.49 RotatableBonds 2
FractionCSP3 0.60 Rings 6
AromaticRings 2 AliphaticRings 4