TPCN00262

Name Tetrahydrosecodine
Molecular Formula C21H30N2O2
Molecular Weight 342.48
CAS Registry Number 27498-98-2
SMILES CCC1CCCN(CCc2c(C(C)C(=O)OC)[nH]c3ccccc23)C1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Rhazya stricta Whole plants 0.000833% Fitoterapia, 2018, 128, 1-6. 10.1016/j.fitote.2018.04.018
Properties
HBA 4 HBD 1
HeavyAtoms 25 AlogP 4.11
TPSA 45.33 RotatableBonds 6
FractionCSP3 0.57 Rings 3
AromaticRings 2 AliphaticRings 1