TPCN02213

Name Cryptotanshinone
Molecular Formula C19H20O3
Molecular Weight 296.37
CAS Registry Number 35825-57-1
SMILES CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia digitaloides Roots 0.007000% J Agric Food Chem 58, 12157-12161 (2010). 10.1021/jf103366g
Lamiaceae Salvia miltiorhiza Roots 0.006733% Planta Med 2004; 70: 201±204 10.1055/s-2004-815535
Properties
HBA 3 HBD 0
HeavyAtoms 22 AlogP 3.44
TPSA 43.37 RotatableBonds 0
FractionCSP3 0.47 Rings 4
AromaticRings 1 AliphaticRings 3