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Chemical structure of Jatrorrhizine

GC38433

Jatrorrhizine

Also known as 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol

Jatrorrhizine is an alkaloid isolated from?Coptis chinensis with neuroprotective, antimicrobial, antiplasmodial and antioxidant activities

ChemicalCAS3621-38-3MW338.38FormulaC20H20NO4+
CAS number
3621-38-3
Molecular weight
338.38
Formula
C20H20NO4+
Solubility
H2O ： 5 mg/mL (14·78 mM; Need ultrasonic); DMSO ： 3·33 mg/mL (9·84 mM; Need ultrasonic)
InChIKey
MXTLAHSTUOXGQF-UHFFFAOYSA-O
Catalogue number
GC38433
Brand
GLPBIO
Computed properties PubChem CID 72323 · XLogP 3.4 · TPSA 51.8 Ų · H-bond donors 1
XLogP
3.4
TPSA
51.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

SMILES COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC

Computed descriptors from PubChem (CID 72323), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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