TPCN01491

Name Caryophyllene or-oxide
Molecular Formula C15H24O
Molecular Weight 220.36
CAS Registry Number 1139-30-6
SMILES C=C1CCC2OC2(C)CCC2C1CC2(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cyperaceae Cyperus rotundus Subterraneous stems 0.000400% Phytochemistry 40(1): 125-128.(1995) 10.1016/0031-9422(95)00260-e
Properties
HBA 1 HBD 0
HeavyAtoms 16 AlogP 3.94
TPSA 12.53 RotatableBonds 0
FractionCSP3 0.87 Rings 3
AromaticRings 0 AliphaticRings 3