TPCN01051

Name Szowitsiacoumarin A
Molecular Formula C24H30O4
Molecular Weight 382.50
CAS Registry Number 932392-13-7
SMILES CC1CCC2(C)C(C)C(=O)CCC2C1(C)COc1ccc2ccc(=O)oc2c1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula szowitsiana Roots 0.003200% Phytochemistry 68(4): 554-561.(2007) 10.1016/j.phytochem.2006.11.002
Apiaceae Ferula pseudalliacea Roots 0.001000% Planta Med 80(13): 1118-1123.(2014) 10.1055/s-0034-1382996
Properties
HBA 4 HBD 0
HeavyAtoms 28 AlogP 5.23
TPSA 56.51 RotatableBonds 3
FractionCSP3 0.58 Rings 4
AromaticRings 2 AliphaticRings 2