TPCN03388

Name Caryopterisoid Q
Molecular Formula C22H30O4
Molecular Weight 358.48
CAS Registry Number 2738369-72-5
SMILES CCOC(C)Cc1cc2c(c(O)c1O)C1(C)CCC(C)=C(C)C1CC2=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Caryopteris glutinosa Whole plants 0.000027% None 10.1016/j.phytochem.2020.112534
Properties
HBA 4 HBD 2
HeavyAtoms 26 AlogP 4.66
TPSA 66.76 RotatableBonds 4
FractionCSP3 0.59 Rings 3
AromaticRings 1 AliphaticRings 2