TPCN03078

Name Takaonine
Molecular Formula C24H35NO7
Molecular Weight 449.54
CAS Registry Number 71264-39-6
SMILES CCN1CC2(COC)C=CC(O)C34C5CC6C(=O)C5C(O)(CC6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum duclouxii Roots 0.000077% Nat Prod Res 28, 1649-1654 (2014). 10.1080/14786419.2014.927463
Properties
HBA 8 HBD 3
HeavyAtoms 32 AlogP -0.40
TPSA 108.69 RotatableBonds 5
FractionCSP3 0.88 Rings 6
AromaticRings 0 AliphaticRings 6