TPCN00251

Name Bogamine;Ibogamine
Molecular Formula C19H24N2
Molecular Weight 280.42
CAS Registry Number 481-87-8
SMILES CCC1CC2CC3c4[nH]c5ccccc5c4CCN(C2)C13
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bufalina Aerial parts 0.000920% Planta Med, 2018, 84, 1127-1133. 10.1055/a-0608-4988
Apocynaceae Ervatamia divaricata Roots 0.000052% J Org Chem, 2018, 83, 10613-10618. 10.1021/acs.joc.8b01371
Properties
HBA 2 HBD 1
HeavyAtoms 21 AlogP 3.93
TPSA 19.03 RotatableBonds 1
FractionCSP3 0.58 Rings 6
AromaticRings 2 AliphaticRings 4