TPCN03420

Name Cheodontoin A
Molecular Formula C20H32O3
Molecular Weight 320.47
CAS Registry Number 78608-61-4
SMILES C=CC(C)(O)CCC1C(=C)CCC2C(C)(C(=O)O)CCCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Chelonopsis odontochila Aerial parts 0.000263% Bioorganic Chemistry 95, (2020). 10.1016/j.bioorg.2020.103571
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 4.57
TPSA 57.53 RotatableBonds 5
FractionCSP3 0.75 Rings 2
AromaticRings 0 AliphaticRings 2