TPCN01121

Name Douglanin
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 16886-36-5
SMILES C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(C)C21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Anthemis carpatica Whole plants 0.002105% Z Naturforsch C J Biosci 57(9-10): 769-772.(2002) 10.1515/znc-2002-9-1001
Asteraceae Tanacetum praeteritum Aerial parts 0.000551% Planta Med 62(5): 419-422.(1996) 10.1055/s-2006-957930
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.21
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3