TPCN00077

Name Pleiocarpamine methochloride
Molecular Formula C21H25ClN2O2
Molecular Weight 372.90
CAS Registry Number 2574-48-3
SMILES CC=C1C[N+]2(C)CCc3c4n(c5ccccc35)C(C(=O)OC)C1CC42.[Cl-]
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Kopsia officinalis Aerial parts 0.010081% J Nat Prod, 2017, 80, 864-871. 10.1021/acs.jnatprod.6b00697
Properties
HBA 4 HBD 0
HeavyAtoms 26 AlogP 0.38
TPSA 31.23 RotatableBonds 1
FractionCSP3 0.48 Rings 5
AromaticRings 2 AliphaticRings 3