TPCN03387

Name Caryopterisoid P
Molecular Formula C18H26O3
Molecular Weight 290.40
CAS Registry Number 2738369-71-4
SMILES CC(=O)C=CC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000059% None 10.1016/j.phytochem.2020.112534
Properties
HBA 3 HBD 1
HeavyAtoms 21 AlogP 4.00
TPSA 54.37 RotatableBonds 3
FractionCSP3 0.67 Rings 2
AromaticRings 0 AliphaticRings 2