TPCN02901

Name Neotanshinlactone
Molecular Formula C17H12O3
Molecular Weight 264.28
CAS Registry Number 802910-32-3
SMILES Cc1cccc2c1ccc1c3occ(C)c3c(=O)oc21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia digitaloides Roots 0.000170% J Agric Food Chem 58, 12157-12161 (2010). 10.1021/jf103366g
Properties
HBA 3 HBD 0
HeavyAtoms 20 AlogP 4.31
TPSA 43.35 RotatableBonds 0
FractionCSP3 0.12 Rings 4
AromaticRings 4 AliphaticRings 0