TPCN01829

Name Caesalpinone A
Molecular Formula C19H26O2
Molecular Weight 286.42
CAS Registry Number 1821194-26-6
SMILES CC1C(=O)CCC2(C)C1CCC1C(C)c3ccoc3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia spinosa Husks 0.000093% Fitoterapia 112: 233-236.(2016) 10.1016/j.fitote.2016.06.012
Properties
HBA 2 HBD 0
HeavyAtoms 21 AlogP 4.59
TPSA 30.21 RotatableBonds 0
FractionCSP3 0.74 Rings 4
AromaticRings 1 AliphaticRings 3