TPCN00422

Name Compound 6
Molecular Formula C10H16O4
Molecular Weight 200.23
CAS Registry Number 1245700-97-3
SMILES O=C1OCCC12CCC(CO)CC2O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Annonaceae Cananga odorata Leaves 0.000325% Phytochemistry, 2010, 71, 1564-1572. 10.1016/j.phytochem.2010.06.009
Properties
HBA 4 HBD 2
HeavyAtoms 14 AlogP 0.07
TPSA 66.76 RotatableBonds 1
FractionCSP3 0.90 Rings 2
AromaticRings 0 AliphaticRings 2