TPCN01115

Name Picrotoximaesin
Molecular Formula C15H22O5
Molecular Weight 282.34
CAS Registry Number 186890-02-8
SMILES CC(C)C1C2C(=O)OC1C1(O)OCC3CCC2(O)C31C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Phyllanthaceae Baccaurea ramiflora Fruits 0.002222% Nat Prod Res 29(14): 1323-1327.(2015) 10.1080/14786419.2014.999335
Properties
HBA 5 HBD 2
HeavyAtoms 20 AlogP 0.68
TPSA 75.99 RotatableBonds 1
FractionCSP3 0.93 Rings 4
AromaticRings 0 AliphaticRings 4