TPCN00116

Name 4-N-methyl-3,4-dehydrostrictosidine
Molecular Formula C28H35N2O9+
Molecular Weight 543.59
CAS Registry Number 2149584-06-3
SMILES C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1=[N+](C)CCc2c1[nH]c1ccccc21
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Palicourea sessilis Leaves 0.003960% J Nat Prod, 2017, 80, 3032-3037. 10.1021/acs.jnatprod.7b00681
Properties
HBA 11 HBD 5
HeavyAtoms 39 AlogP 0.19
TPSA 153.71 RotatableBonds 7
FractionCSP3 0.50 Rings 5
AromaticRings 2 AliphaticRings 3