TPCN00593

Name Villocarine A
Molecular Formula C22H26N2O3
Molecular Weight 366.46
CAS Registry Number 1319743-81-1
SMILES CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(=COC)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Uncaria rhynchophylla Stems 0.000112% Fitoterapia, 2018, 127, 47-55. 10.1016/j.fitote.2018.01.013
Rubiaceae Uncaria rhynchophylla Hooks 0.000042% J Nat Prod, 2019, 82, 3302-3310. 10.1021/acs.jnatprod.9b00532
Rubiaceae Uncaria rhynchophylla Stems 0.000042% Journal of Natural Products 83 10.1021/acs.jnatprod.9b00532
Properties
HBA 5 HBD 1
HeavyAtoms 27 AlogP 3.74
TPSA 54.56 RotatableBonds 3
FractionCSP3 0.41 Rings 4
AromaticRings 2 AliphaticRings 2