TPCN00175

Name 16R-Eisositsirikine;Isositsirikine
Molecular Formula C21H26N2O3
Molecular Weight 354.45
CAS Registry Number 6519-27-3
SMILES CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1C(CO)C(=O)OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Rhazya stricta Whole plants 0.001667% Fitoterapia, 2018, 128, 1-6. 10.1016/j.fitote.2018.04.018
Apocynaceae Melodinus khasianus Aerial parts 0.000947% J Nat Prod, 2016, 79, 2158-2197. 10.1021/acs.jnatprod.6b00011
Properties
HBA 5 HBD 2
HeavyAtoms 26 AlogP 2.81
TPSA 65.56 RotatableBonds 3
FractionCSP3 0.48 Rings 4
AromaticRings 2 AliphaticRings 2