TPCN01346

Name Rhizantholide A
Molecular Formula C15H18O5
Molecular Weight 278.30
CAS Registry Number 2245696-42-6
SMILES C=C1C(O)C(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Centaurea rhizantha Whole plants 0.000667% Nat Prod Res 33(14): 2016-2023.(2019) 10.1080/14786419.2018.1483926
Properties
HBA 5 HBD 3
HeavyAtoms 20 AlogP -0.07
TPSA 86.99 RotatableBonds 0
FractionCSP3 0.53 Rings 3
AromaticRings 0 AliphaticRings 3