TPCN01078

Name Sonchifolin;8beta-angeloyloxy-13-methoxyl-11, 13-dihydromelampolid-14-oic acid methyl ester
Molecular Formula C21H26O6
Molecular Weight 374.43
CAS Registry Number 166547-25-7
SMILES C=C1C(=O)OC2C=C(C)CCC=C(C(=O)OC)CC(OC(=O)C(C)=CC)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Smallanthus sonchifolius Leaves 0.002800% Phytochemistry 117: 332-339.(2015) 10.1016/j.phytochem.2015.06.020
Asteraceae Smallanthus sonchifolius Leaves 0.001563% J Agric Food Chem 63(50): 10856-10861.(2015) 10.1021/acs.jafc.5b05229
Asteraceae Smallanthus sonchifolius Leaves 0.000240% J Asian Nat Prod Res 20(6): 538-544.(2018) 10.1080/10286020.2017.1411346
Properties
HBA 6 HBD 0
HeavyAtoms 27 AlogP 3.19
TPSA 78.90 RotatableBonds 3
FractionCSP3 0.48 Rings 2
AromaticRings 0 AliphaticRings 2