TPCN00570

Name Tetrahydroalstonine
Molecular Formula C21H24N2O3
Molecular Weight 352.43
CAS Registry Number 6474-90-4
SMILES COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria rhynchophylla Hooks 0.000133% J Nat Prod, 2019, 82, 3302-3310. 10.1021/acs.jnatprod.9b00532
Rubiaceae Uncaria rhynchophylla Stems 0.000133% Journal of Natural Products 83 10.1021/acs.jnatprod.9b00532
Icacinaceae Mappianthus iodoides Stems 0.000075% Phytochemistry, 2018, 145, 68-76. 10.1016/j.phytochem.2017.10.009
Properties
HBA 5 HBD 1
HeavyAtoms 26 AlogP 3.18
TPSA 54.56 RotatableBonds 1
FractionCSP3 0.48 Rings 5
AromaticRings 2 AliphaticRings 3