TPCN05247

Name Tingenone
Molecular Formula C28H36O3
Molecular Weight 420.59
CAS Registry Number 50802-21-6
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)C(=O)CC3(C)CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Maytenus imbricata Roots 0.100000% Eur J Pharmacol. 2015. 755, 1-5. 10.1016/j.ejphar.2015.02.038
Celastraceae Maytenus scutioides Barks 0.001333% Bioorg Med Chem. 1996. 4, 815-823. 10.1016/0968-0896(96)00078-8.
Properties
HBA 3 HBD 1
HeavyAtoms 31 AlogP 6.42
TPSA 54.37 RotatableBonds 0
FractionCSP3 0.64 Rings 5
AromaticRings 0 AliphaticRings 5