TPCN01703

Name Neolitacumone B
Molecular Formula C15H20O3
Molecular Weight 248.32
CAS Registry Number 407636-26-4
SMILES C=C1CCC(O)C2(C)CC3OC(=O)C(C)=C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Chloranthaceae Chloranthus japonicus Whole plants 0.000181% Chin J Nat Med 10(1): 24-27.(2012) 10.1016/S1875-5364(12)60005-3
Properties
HBA 3 HBD 1
HeavyAtoms 18 AlogP 2.36
TPSA 46.53 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3