TPCN00370

Name Hainanervatasine
Molecular Formula C22H28N2O
Molecular Weight 336.48
CAS Registry Number 1193485-89-0
SMILES CCC1CC2CC3c4[nH]c5ccccc5c4CCN(C2CC(C)=O)C13
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana bufalina Aerial parts 0.000400% Planta Med, 2018, 84, 1127-1133. 10.1055/a-0608-4988
Properties
HBA 3 HBD 1
HeavyAtoms 25 AlogP 4.28
TPSA 36.10 RotatableBonds 3
FractionCSP3 0.59 Rings 6
AromaticRings 2 AliphaticRings 4