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Chemical structure of Atherosperminine

GC60604

Atherosperminine

Also known as 2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine

Atherosperminine(Atherospermine)is a nature occurring alkaloid, has antiplasmodial activities in vitro, with an IC50 of 5·80 μM

ChemicalCAS5531-98-6MW309.4FormulaC20H23NO2
CAS number
5531-98-6
Molecular weight
309.4
Formula
C20H23NO2
InChIKey
UZZFAUDNCIFFPM-UHFFFAOYSA-N
Catalogue number
GC60604
Brand
GLPBIO
Computed properties PubChem CID 96918 · XLogP 4.7 · TPSA 21.7 Ų · H-bond donors 0
XLogP
4.7
TPSA
21.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23

SMILES CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC

Computed descriptors from PubChem (CID 96918), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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