TPCN00788

Name Tabervarines B
Molecular Formula C25H32N2O5
Molecular Weight 440.54
CAS Registry Number 2305790-20-7
SMILES CCC1CC2CC3(C(=O)OC)C4=Nc5cc(OC)ccc5C4(O)CCN(C2CC(C)=O)C13
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Tabernaemontana divaricata Aerial parts 0.000011% Nat Prod Res, 2019, 33, 2139-2144. 10.1080/14786419.2018.1488707
Properties
HBA 7 HBD 1
HeavyAtoms 32 AlogP 3.00
TPSA 88.43 RotatableBonds 5
FractionCSP3 0.64 Rings 6
AromaticRings 1 AliphaticRings 5