TPCN00263

Name Sibiraic acid
Molecular Formula C10H16O3
Molecular Weight 184.24
CAS Registry Number 1232140-62-3
SMILES CC(C)=CC1CC(C(=O)O)CCO1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Sibiraea angustata Aerial parts 0.000800% Phytochem Lett, 2013, 6, 461-466. 10.1016/j.phytol.2013.05.016
Properties
HBA 3 HBD 1
HeavyAtoms 13 AlogP 1.83
TPSA 46.53 RotatableBonds 2
FractionCSP3 0.70 Rings 1
AromaticRings 0 AliphaticRings 1