TPCN00905

Name Onopordopicrin;15-hydroxy-8??-hydroxymethacryloyloxy-costunolide
Molecular Formula C19H24O6
Molecular Weight 348.40
CAS Registry Number 19889-00-0
SMILES C=C(CO)C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Onopordum illyricum Aerial parts 0.012174% Fitoterapia 116: 61-65.(2017) 10.1016/j.fitote.2016.11.006
Asteraceae Vernonia fimbrillifera Leaves 0.009716% Nat Prod Res 32, 1463-1466.(2018) 10.1080/14786419.2017.1350665
Asteraceae Dimerostemma episcopale Leaves 0.000476% Z Naturforsch C J Biosci 61(9-10): 647-652.(2006) 10.1515/znc-2006-9-1006
Properties
HBA 6 HBD 2
HeavyAtoms 25 AlogP 1.59
TPSA 93.06 RotatableBonds 4
FractionCSP3 0.47 Rings 2
AromaticRings 0 AliphaticRings 2