TPCN02278

Name Tanshinone I
Molecular Formula C18H12O3
Molecular Weight 276.29
CAS Registry Number 568-73-0
SMILES Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia digitaloides Roots 0.003500% J Agric Food Chem 58, 12157-12161 (2010). 10.1021/jf103366g
Lamiaceae Salvia miltiorhiza Roots 0.002000% Planta Med 2004; 70: 201±204 10.1055/s-2004-815535
Properties
HBA 3 HBD 0
HeavyAtoms 21 AlogP 4.10
TPSA 47.28 RotatableBonds 0
FractionCSP3 0.11 Rings 4
AromaticRings 3 AliphaticRings 1