TPCN00634

Name Uncarialin B;Uncarialins B
Molecular Formula C22H26N2O4
Molecular Weight 382.46
CAS Registry Number 2557676-53-4
SMILES C=CC1C[N+]2([O-])CCc3c([nH]c4ccccc34)C2CC1C(=COC)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Uncaria rhynchophylla Hooks 0.000076% J Nat Prod, 2019, 82, 3302-3310. 10.1021/acs.jnatprod.9b00532
Rubiaceae Uncaria rhynchophylla Stems 0.000076% Journal of Natural Products 83 10.1021/acs.jnatprod.9b00532
Properties
HBA 6 HBD 1
HeavyAtoms 28 AlogP 3.61
TPSA 74.38 RotatableBonds 4
FractionCSP3 0.41 Rings 4
AromaticRings 2 AliphaticRings 2