TPCN05284

Name Taxodione
Molecular Formula C20H26O3
Molecular Weight 314.43
CAS Registry Number 19026-31-4
SMILES CC(C)C1=CC2=CC(=O)C3C(C)(C)CCCC3(C)C2=C(O)C1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia atropatana Aerial parts 0.010000% Nat Prod Res. 2012. 26, 1910-1913. 10.1080/14786419.2011.628668
Lamiaceae Salvia xanthocheila Aerial parts 0.002857% Nat Prod Res. 2012. 26, 648-653. 10.1080/14786419.2010.541884
Properties
HBA 3 HBD 1
HeavyAtoms 23 AlogP 4.31
TPSA 54.37 RotatableBonds 1
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3