TPCN01272

Name Ixerochinolide
Molecular Formula C23H24O6
Molecular Weight 396.44
CAS Registry Number 853398-97-7
SMILES C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Carpesium divaricatum Whole plants 0.001000% Chem Pharm Bull (Tokyo) 53(1): 15-17.(2005) 10.1248/cpb.53.15
Properties
HBA 6 HBD 2
HeavyAtoms 29 AlogP 2.46
TPSA 93.06 RotatableBonds 3
FractionCSP3 0.39 Rings 4
AromaticRings 1 AliphaticRings 3