TPCN01586

Name Ferulsinaic acid
Molecular Formula C24H30O5
Molecular Weight 398.50
CAS Registry Number 934822-64-7
SMILES CC(C)=CC1CC(C)C(COc2ccc3ccc(=O)oc3c2)C1(C)CCC(=O)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ferula sinaica Roots 0.000294% Phytochemistry 68, 680-686(2007) 10.1016/j.phytochem.2006.12.011
Properties
HBA 5 HBD 1
HeavyAtoms 29 AlogP 5.28
TPSA 76.74 RotatableBonds 7
FractionCSP3 0.50 Rings 3
AromaticRings 2 AliphaticRings 1