TPCN00484

Name 3??-isodihydrocadambine
Molecular Formula C27H34N2O10
Molecular Weight 546.57
CAS Registry Number 62014-69-1
SMILES COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1c3[nH]c4ccccc4c3CCN1C2CO
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Uncaria rhynchophylla Stems 0.000222% J Nat Prod, 2019, 82, 3288-3301. 10.1021/acs.jnatprod.9b00490
Properties
HBA 12 HBD 6
HeavyAtoms 39 AlogP -0.71
TPSA 174.17 RotatableBonds 5
FractionCSP3 0.59 Rings 6
AromaticRings 2 AliphaticRings 4