TPCN01172

Name Cichoriolide A
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 117013-49-7
SMILES C=C1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cichorium endivia Roots 0.001587% Chem Pharm Bull (Tokyo) 36(7): 2423-2429.(1988) 10.1248/cpb.36.2423
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.36
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3