TPCN01106

Name 8-deoxylactucin
Molecular Formula C15H16O4
Molecular Weight 260.29
CAS Registry Number 65725-10-2
SMILES C=C1C(=O)OC2C1CCC(C)=C1C(=O)C=C(CO)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cichorium endivia Roots 0.002381% Chem Pharm Bull (Tokyo) 36(7): 2423-2429.(1988) 10.1248/cpb.36.2423
Properties
HBA 4 HBD 1
HeavyAtoms 19 AlogP 1.31
TPSA 63.60 RotatableBonds 1
FractionCSP3 0.47 Rings 3
AromaticRings 0 AliphaticRings 3