TPCN02575

Name Acuminolide
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 161016-98-4
SMILES CC1(C)CCCC2(C)C1CCC1(CO)OC(C3=CC(=O)OC3O)CC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Vitex cofassus Leaves 0.000660% Chem Pharm Bull (Tokyo) 65, 116-120 (2017). 10.1248/cpb.c16-00775
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 2.55
TPSA 75.99 RotatableBonds 2
FractionCSP3 0.85 Rings 4
AromaticRings 0 AliphaticRings 4