TPCN00592

Name Wampetin
Molecular Formula C21H18O6
Molecular Weight 366.37
CAS Registry Number 89824-26-0
SMILES CC(=CCOc1c2occc2cc2ccc(=O)oc12)CC1C=C(C)C(=O)O1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rutaceae Clausena lansium Peels 0.000113% Planta Med, 2014, 80, 955-962. 10.1055/s-0034-1382839
Properties
HBA 6 HBD 0
HeavyAtoms 27 AlogP 4.13
TPSA 78.88 RotatableBonds 5
FractionCSP3 0.24 Rings 4
AromaticRings 3 AliphaticRings 1