TPCN01052

Name Hydroperoxides 1
Molecular Formula C15H24O2
Molecular Weight 236.36
CAS Registry Number 848154-19-8
SMILES C=C(C)C1CCC(C)(OO)C2=CCC(C)C2C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Pogostemon cablin Whole plants 0.003200% Chem Pharm Bull (Tokyo) 52(12): 1495-1496.(2004) 10.1248/cpb.52.1495
Properties
HBA 2 HBD 1
HeavyAtoms 17 AlogP 4.19
TPSA 29.46 RotatableBonds 2
FractionCSP3 0.73 Rings 2
AromaticRings 0 AliphaticRings 2