TPCN01091

Name Caryophyllenol A
Molecular Formula C15H24O2
Molecular Weight 236.36
CAS Registry Number 1776926-11-4
SMILES C=C1CCC2OC2(C)CCC2C1C(O)C2(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Valeriana amurensis Roots 0.002598% Fitoterapia 96: 18-24.(2014) 10.1016/j.fitote.2014.03.025
Properties
HBA 2 HBD 1
HeavyAtoms 17 AlogP 2.91
TPSA 32.76 RotatableBonds 0
FractionCSP3 0.87 Rings 3
AromaticRings 0 AliphaticRings 3