TPCN03613

Name Lupenone
Molecular Formula C30H48O
Molecular Weight 424.71
CAS Registry Number 1617-70-5
SMILES C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C12
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Acanthophyllum glandulosum Leaves 0.001750% J Agric Food Chem, 2014, 62, 8411-8414. 10.1021/jf502667z
Euphorbiaceae Manihot esculenta Aerial parts 0.000520% Planta Med 69, 271-274 (2003) 10.1055/s-2003-38488
Properties
HBA 1 HBD 0
HeavyAtoms 31 AlogP 8.23
TPSA 17.07 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5