TPCN02242

Name Paradoxenoic
Molecular Formula C20H32O4
Molecular Weight 336.47
CAS Registry Number 1352549-11-1
SMILES CC1=CCC(O)C(C(=O)O)C(O)CCC(C)=CCC(=C(C)C)CC1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Cleomaceae Cleome paradoxa Whole plants 0.005333% Nat Prod Res 26, 264-269 (2012). 10.1080/14786419.2010.535156
Properties
HBA 4 HBD 3
HeavyAtoms 24 AlogP 3.99
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.65 Rings 1
AromaticRings 0 AliphaticRings 1