TPCN02238

Name Tanshinone IIA
Molecular Formula C19H18O3
Molecular Weight 294.35
CAS Registry Number 568-72-9
SMILES Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia digitaloides Roots 0.005600% J Agric Food Chem 58, 12157-12161 (2010). 10.1021/jf103366g
Lamiaceae Salvia miltiorhiza Roots 0.004400% Planta Med 2004; 70: 201±204 10.1055/s-2004-815535
Properties
HBA 3 HBD 0
HeavyAtoms 22 AlogP 4.25
TPSA 47.28 RotatableBonds 0
FractionCSP3 0.37 Rings 4
AromaticRings 2 AliphaticRings 2